2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid

C18H20N2O5 — CID 5126450

IUPAC2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESCOc1cc(NC(=O)NC(Cc2ccccc2)C(=O)O)cc(OC)c1
InChIInChI=1S/C18H20N2O5/c1-24-14-9-13(10-15(11-14)25-2)19-18(23)20-16(17(21)22)8-12-6-4-3-5-7-12/h3-7,9-11,16H,8H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyOGYJQEBJWLDRFN-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.52
Rot. Bonds7

About 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid

2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 5126450) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID5126450
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
SMILESCOc1cc(NC(=O)NC(Cc2ccccc2)C(=O)O)cc(OC)c1
InChIInChI=1S/C18H20N2O5/c1-24-14-9-13(10-15(11-14)25-2)19-18(23)20-16(17(21)22)8-12-6-4-3-5-7-12/h3-7,9-11,16H,8H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyOGYJQEBJWLDRFN-UHFFFAOYSA-N
XLogP2.52
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
2-[(3,5-dichlorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4032418
2-[(3,5-difluoro-4-hydroxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 142875212
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707
(2S)-2-[(3-acetylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 941056
(2S)-2-[(4-iodophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 90386865
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
3-[(1-carboxy-2-phenylethyl)carbamoylamino]benzoic acid
CID 3763107
2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid
CID 53264150
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2S)-2-[(3-fluoro-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 113364397
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid (CID 5126450) is 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid is COc1cc(NC(=O)NC(Cc2ccccc2)C(=O)O)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is OGYJQEBJWLDRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-14-9-13(10-15(11-14)25-2)19-18(23)20-16(17(21)22)8-12-6-4-3-5-7-12/h3-7,9-11,16H,8H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid?
2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 5126450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).