3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide

C18H21NO3 — CID 14697705

IUPAC3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)c2ccccc2O)cc1
InChIInChI=1S/C18H21NO3/c1-18(2,15-6-4-5-7-16(15)20)12-17(21)19-13-8-10-14(22-3)11-9-13/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyMUXONPVOKGWXAL-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.71
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide

3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide (PubChem CID 14697705) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide
PubChem CID14697705
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)c2ccccc2O)cc1
InChIInChI=1S/C18H21NO3/c1-18(2,15-6-4-5-7-16(15)20)12-17(21)19-13-8-10-14(22-3)11-9-13/h4-11,20H,12H2,1-3H3,(H,19,21)
InChIKeyMUXONPVOKGWXAL-UHFFFAOYSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide 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

N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 3345535
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide
CID 67711716
2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 141405413
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 115638080
(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740869
(3R)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740870
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide (CID 14697705) is 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide is COc1ccc(NC(=O)CC(C)(C)c2ccccc2O)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide?
The InChIKey is MUXONPVOKGWXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2,15-6-4-5-7-16(15)20)12-17(21)19-13-8-10-14(22-3)11-9-13/h4-11,20H,12H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide?
3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide has a molecular weight of 299.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 14697705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).