4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid

C24H23NO4 — CID 76553624

IUPAC4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid
SMILESCC(NC(=O)CC(c1ccccc1)c1cc(C(=O)O)ccc1O)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-16(17-8-4-2-5-9-17)25-23(27)15-20(18-10-6-3-7-11-18)21-14-19(24(28)29)12-13-22(21)26/h2-14,16,20,26H,15H2,1H3,(H,25,27)(H,28,29)
InChIKeyKIZSZTVETQFLLP-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.49
Rot. Bonds7

About 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid

4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid (PubChem CID 76553624) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid
PubChem CID76553624
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid
SMILESCC(NC(=O)CC(c1ccccc1)c1cc(C(=O)O)ccc1O)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-16(17-8-4-2-5-9-17)25-23(27)15-20(18-10-6-3-7-11-18)21-14-19(24(28)29)12-13-22(21)26/h2-14,16,20,26H,15H2,1H3,(H,25,27)(H,28,29)
InChIKeyKIZSZTVETQFLLP-UHFFFAOYSA-N
XLogP4.49
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic 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

3-(5-bromo-2-hydroxyphenyl)-N-tert-butyl-3-phenylpropanamide
CID 2925351
(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 1330077
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide
CID 113199018
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
5-methyl-3-[2-oxo-2-(1-phenylethylamino)ethyl]hexanoic acid
CID 59855513
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid?
The IUPAC name of 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid (CID 76553624) is 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid.
What is the SMILES notation for 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid?
The canonical SMILES for 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid is CC(NC(=O)CC(c1ccccc1)c1cc(C(=O)O)ccc1O)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid?
The InChIKey is KIZSZTVETQFLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16(17-8-4-2-5-9-17)25-23(27)15-20(18-10-6-3-7-11-18)21-14-19(24(28)29)12-13-22(21)26/h2-14,16,20,26H,15H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid?
4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid has a molecular weight of 389.45 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-oxo-1-phenyl-3-(1-phenylethylamino)propyl]benzoic acid is sourced from PubChem (CID 76553624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).