4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide

C18H21NO3 — CID 23652768

IUPAC4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
SMILESCOc1cc(C(=O)NCCCCc2ccccc2)ccc1O
InChIInChI=1S/C18H21NO3/c1-22-17-13-15(10-11-16(17)20)18(21)19-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13,20H,5-6,9,12H2,1H3,(H,19,21)
InChIKeyQFUZCJYNLSDCAL-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.15
Rot. Bonds7

About 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide

4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide (PubChem CID 23652768) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
PubChem CID23652768
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
SMILESCOc1cc(C(=O)NCCCCc2ccccc2)ccc1O
InChIInChI=1S/C18H21NO3/c1-22-17-13-15(10-11-16(17)20)18(21)19-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13,20H,5-6,9,12H2,1H3,(H,19,21)
InChIKeyQFUZCJYNLSDCAL-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide 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

6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
3-[(4-hydroxy-3-methoxybenzoyl)amino]propanoic acid
CID 68549525
2-[[2-(4-hydroxy-3-methoxyphenyl)ethylamino]methyl]-N-(4-phenylbutyl)benzamide
CID 23544116
3-phenylpropyl 4-hydroxy-3-methoxybenzoate
CID 11977890
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
4-(8-hydroxyquinolin-6-yl)-3-methoxy-N-(3-phenylpropyl)benzamide
CID 176554954

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide (CID 23652768) is 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide is COc1cc(C(=O)NCCCCc2ccccc2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide?
The InChIKey is QFUZCJYNLSDCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-22-17-13-15(10-11-16(17)20)18(21)19-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13,20H,5-6,9,12H2,1H3,(H,19,21).
What are the key properties of 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide?
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 23652768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).