2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid

C17H17NO4 — CID 108801730

IUPAC2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
SMILESCCOc1cccc(C(=O)NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H17NO4/c1-2-22-14-10-6-9-13(11-14)16(19)18-15(17(20)21)12-7-4-3-5-8-12/h3-11,15H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyGDMGUWALCJVTIF-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.64
Rot. Bonds6

About 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid

2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid (PubChem CID 108801730) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
PubChem CID108801730
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
SMILESCCOc1cccc(C(=O)NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H17NO4/c1-2-22-14-10-6-9-13(11-14)16(19)18-15(17(20)21)12-7-4-3-5-8-12/h3-11,15H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyGDMGUWALCJVTIF-UHFFFAOYSA-N
XLogP2.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(3R)-3-phenylbutan-2-yl]benzamide;formaldehyde
CID 159762229
4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
CID 119201351
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
3-ethoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 1252585
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid (CID 108801730) is 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid is CCOc1cccc(C(=O)NC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid?
The InChIKey is GDMGUWALCJVTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-22-14-10-6-9-13(11-14)16(19)18-15(17(20)21)12-7-4-3-5-8-12/h3-11,15H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid?
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid has a molecular weight of 299.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 108801730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).