2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid

C18H18N2O4 — CID 108804747

IUPAC2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
SMILESCC(=O)Nc1ccc(CC(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(21)19-15-9-7-13(8-10-15)11-16(22)20-17(18(23)24)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyULIWFOSXZHHEBG-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.13
Rot. Bonds6

About 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid

2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid (PubChem CID 108804747) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
PubChem CID108804747
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid
SMILESCC(=O)Nc1ccc(CC(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O4/c1-12(21)19-15-9-7-13(8-10-15)11-16(22)20-17(18(23)24)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyULIWFOSXZHHEBG-UHFFFAOYSA-N
XLogP2.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
CID 27856977
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107564044
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]pentanoic acid
CID 107563002
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821893
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822994
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
CID 119372755
2-phenyl-2-[(2-phenylacetyl)amino]ethanethioic S-acid
CID 54430659
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid (CID 108804747) is 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid is CC(=O)Nc1ccc(CC(=O)NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is ULIWFOSXZHHEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(21)19-15-9-7-13(8-10-15)11-16(22)20-17(18(23)24)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid?
2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 326.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidophenyl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 108804747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).