3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid

C17H18N2O4 — CID 16772233

IUPAC3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESCOc1ccc(NC(=O)NC(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4/c1-23-14-9-7-13(8-10-14)18-17(22)19-15(11-16(20)21)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyCKOSHESEMMDYDG-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.03
Rot. Bonds6

About 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid

3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 16772233) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID16772233
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESCOc1ccc(NC(=O)NC(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4/c1-23-14-9-7-13(8-10-14)18-17(22)19-15(11-16(20)21)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyCKOSHESEMMDYDG-UHFFFAOYSA-N
XLogP3.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
3-(4-methoxyphenyl)-3-[[4-methyl-2-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]pentanoyl]amino]propanoic acid
CID 22316527
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
CID 17480798
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid (CID 16772233) is 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid is COc1ccc(NC(=O)NC(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is CKOSHESEMMDYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-23-14-9-7-13(8-10-14)18-17(22)19-15(11-16(20)21)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid?
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 314.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 16772233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).