2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid

C18H18N2O4 — CID 21444742

IUPAC2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCC(=O)N(Cc1ccccc1)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-13(21)20(12-14-8-4-2-5-9-14)18(24)19-16(17(22)23)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,19,24)(H,22,23)
InChIKeyIUHWCKNZDNHFRH-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.57
Rot. Bonds5

About 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid

2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 21444742) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID21444742
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCC(=O)N(Cc1ccccc1)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H18N2O4/c1-13(21)20(12-14-8-4-2-5-9-14)18(24)19-16(17(22)23)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,19,24)(H,22,23)
InChIKeyIUHWCKNZDNHFRH-UHFFFAOYSA-N
XLogP2.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(methylcarbamoyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444788
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318
2-[[2-acetylsulfanylethyl(2-phenylethyl)carbamoyl]amino]-2-phenylacetic acid
CID 22722879
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444799
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 169433659
(2S)-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 104899000
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-(2-methylprop-2-enoylamino)-2-phenylacetic acid
CID 22846521
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214

Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid (CID 21444742) is 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid is CC(=O)N(Cc1ccccc1)C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is IUHWCKNZDNHFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-13(21)20(12-14-8-4-2-5-9-14)18(24)19-16(17(22)23)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid?
2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 326.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 21444742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).