3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide

C19H23NO3 — CID 110025454

IUPAC3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCCCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-19(23,16-7-3-2-4-8-16)14-18(22)20-13-5-6-15-9-11-17(21)12-10-15/h2-4,7-12,21,23H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyYEKOPENRRVBAHH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.74
Rot. Bonds7

About 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide

3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide (PubChem CID 110025454) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
PubChem CID110025454
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCCCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-19(23,16-7-3-2-4-8-16)14-18(22)20-13-5-6-15-9-11-17(21)12-10-15/h2-4,7-12,21,23H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyYEKOPENRRVBAHH-UHFFFAOYSA-N
XLogP2.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide 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-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
1-[3-(4-hydroxyphenyl)propyl]-3-(3-methyl-3-phenylbutan-2-yl)urea
CID 86973264
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide
CID 86972858
3,3-dimethyl-N-[2-(3-phenylpropylamino)ethyl]butanamide
CID 174761673
2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
CID 118398481
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N,N-dimethylbenzamide
CID 110024530
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
1-[2-(2-fluorophenyl)-2-methylpropyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973255
N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110612052

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide (CID 110025454) is 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide is CC(O)(CC(=O)NCCCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide?
The InChIKey is YEKOPENRRVBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(23,16-7-3-2-4-8-16)14-18(22)20-13-5-6-15-9-11-17(21)12-10-15/h2-4,7-12,21,23H,5-6,13-14H2,1H3,(H,20,22).
What are the key properties of 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide?
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide has a molecular weight of 313.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide is sourced from PubChem (CID 110025454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).