2-(3,4-dihydroxyphenyl)-N-phenylpropanamide

C15H15NO3 — CID 19745950

IUPAC2-(3,4-dihydroxyphenyl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO3/c1-10(11-7-8-13(17)14(18)9-11)15(19)16-12-5-3-2-4-6-12/h2-10,17-18H,1H3,(H,16,19)
InChIKeyQRBHHOVNSNRAQP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.84
Rot. Bonds3

About 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide

2-(3,4-dihydroxyphenyl)-N-phenylpropanamide (PubChem CID 19745950) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-phenylpropanamide
PubChem CID19745950
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-(3,4-dihydroxyphenyl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H15NO3/c1-10(11-7-8-13(17)14(18)9-11)15(19)16-12-5-3-2-4-6-12/h2-10,17-18H,1H3,(H,16,19)
InChIKeyQRBHHOVNSNRAQP-UHFFFAOYSA-N
XLogP2.84
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide 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

2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
N-(4-formylphenyl)-2-phenylpropanamide
CID 87347129
2-(3,4-dihydroxyphenyl)-N-hexylpropanamide
CID 67829900
2-(3,4-dihydroxyphenyl)-N-octylpropanamide
CID 139641564
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
4-[(3,4-dihydroxyphenyl)-phenylmethyl]benzene-1,2-diol
CID 134202922
methyl 3-(2-phenylpropanoylamino)benzoate
CID 104916705

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide (CID 19745950) is 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)c1ccc(O)c(O)c1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide?
The InChIKey is QRBHHOVNSNRAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(11-7-8-13(17)14(18)9-11)15(19)16-12-5-3-2-4-6-12/h2-10,17-18H,1H3,(H,16,19).
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide?
2-(3,4-dihydroxyphenyl)-N-phenylpropanamide has a molecular weight of 257.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-phenylpropanamide is sourced from PubChem (CID 19745950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).