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

C20H22N2O4 — CID 119254516

IUPAC2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCCCNC(=O)c1cccc(C(=O)NCC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-2-11-21-18(23)15-9-6-10-16(12-15)19(24)22-13-17(20(25)26)14-7-4-3-5-8-14/h3-10,12,17H,2,11,13H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyYGSUQDMZSUYNFM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.42
Rot. Bonds8

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

2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid (PubChem CID 119254516) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
PubChem CID119254516
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCCCNC(=O)c1cccc(C(=O)NCC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-2-11-21-18(23)15-9-6-10-16(12-15)19(24)22-13-17(20(25)26)14-7-4-3-5-8-14/h3-10,12,17H,2,11,13H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyYGSUQDMZSUYNFM-UHFFFAOYSA-N
XLogP2.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635
3-methyl-2-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119169850
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
3-[(2-hydroxy-2-phenylacetyl)amino]-N-propylbenzamide
CID 111536692
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119220692

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid (CID 119254516) is 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid is CCCNC(=O)c1cccc(C(=O)NCC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid?
The InChIKey is YGSUQDMZSUYNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-11-21-18(23)15-9-6-10-16(12-15)19(24)22-13-17(20(25)26)14-7-4-3-5-8-14/h3-10,12,17H,2,11,13H2,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid?
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119254516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).