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N4E : Summary
Code
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N4E
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One-letter code
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X
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Molecule name
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N-(4-ethoxyphenyl)acetamide
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Synonyms
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phenacetin
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Systematic names
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Formula
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C10 H13 N O2
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Formal charge
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0
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Molecular weight
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179.216 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(Nc1ccc(OCC)cc1)C |
SMILES
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CACTVS |
3.341 |
CCOc1ccc(NC(C)=O)cc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOc1ccc(cc1)NC(=O)C |
Canonical SMILES
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CACTVS |
3.341 |
CCOc1ccc(NC(C)=O)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOc1ccc(cc1)NC(=O)C |
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IUPAC InChI | InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) |
IUPAC InChI key | CPJSUEIXXCENMM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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26 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2008-09-04
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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