2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid

C20H23N3O4 — CID 119254635

IUPAC2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NCC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C20H23N3O4/c1-13(2)22-20(27)23-16-10-6-9-15(11-16)18(24)21-12-17(19(25)26)14-7-4-3-5-8-14/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)
InChIKeyDNQZOKUAWIPRSX-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.81
Rot. Bonds7

About 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid

2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid (PubChem CID 119254635) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
PubChem CID119254635
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
SMILESCC(C)NC(=O)Nc1cccc(C(=O)NCC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C20H23N3O4/c1-13(2)22-20(27)23-16-10-6-9-15(11-16)18(24)21-12-17(19(25)26)14-7-4-3-5-8-14/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)
InChIKeyDNQZOKUAWIPRSX-UHFFFAOYSA-N
XLogP2.81
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
CID 119254516
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 39509628
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648199
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid (CID 119254635) is 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid is CC(C)NC(=O)Nc1cccc(C(=O)NCC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid?
The InChIKey is DNQZOKUAWIPRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)22-20(27)23-16-10-6-9-15(11-16)18(24)21-12-17(19(25)26)14-7-4-3-5-8-14/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27).
What are the key properties of 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid?
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid has a molecular weight of 369.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119254635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).