4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide

C15H23NO3 — CID 112510957

IUPAC4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide
SMILESCOc1ccc(C)cc1C(O)CCC(=O)NC(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)16-15(18)8-6-13(17)12-9-11(3)5-7-14(12)19-4/h5,7,9-10,13,17H,6,8H2,1-4H3,(H,16,18)
InChIKeyPHBCQVIWEWVILS-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.34
Rot. Bonds6

About 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide

4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide (PubChem CID 112510957) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide
PubChem CID112510957
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide
SMILESCOc1ccc(C)cc1C(O)CCC(=O)NC(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)16-15(18)8-6-13(17)12-9-11(3)5-7-14(12)19-4/h5,7,9-10,13,17H,6,8H2,1-4H3,(H,16,18)
InChIKeyPHBCQVIWEWVILS-UHFFFAOYSA-N
XLogP2.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide 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

methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one
CID 112510811
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide (CID 112510957) is 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide is COc1ccc(C)cc1C(O)CCC(=O)NC(C)C.
What is the InChIKey of 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide?
The InChIKey is PHBCQVIWEWVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)16-15(18)8-6-13(17)12-9-11(3)5-7-14(12)19-4/h5,7,9-10,13,17H,6,8H2,1-4H3,(H,16,18).
What are the key properties of 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide?
4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide has a molecular weight of 265.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 112510957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).