2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide

C15H23NO3 — CID 115186351

IUPAC2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide
SMILESCCC(CO)C(=O)Nc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-6-12(8-17)15(18)16-13-7-9(2)14(19-5)11(4)10(13)3/h7,12,17H,6,8H2,1-5H3,(H,16,18)
InChIKeyXQLAXLYOTRVGRE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.58
Rot. Bonds5

About 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide

2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide (PubChem CID 115186351) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide
PubChem CID115186351
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide
SMILESCCC(CO)C(=O)Nc1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-6-12(8-17)15(18)16-13-7-9(2)14(19-5)11(4)10(13)3/h7,12,17H,6,8H2,1-5H3,(H,16,18)
InChIKeyXQLAXLYOTRVGRE-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide 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

2-(hydroxymethyl)-N-(4-methoxy-3,5-dimethylphenyl)butanamide
CID 115186393
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
CID 116931308
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
CID 96676162
3-(2-ethylbutanoylamino)-4,5-dimethoxybenzoic acid
CID 120606615
2-amino-3-(4-methoxy-2,3,5-trimethylanilino)propanoic acid
CID 115240470
3-amino-4-(4-methoxy-2,3,5-trimethylanilino)butanoic acid
CID 115241472
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol
CID 115133837
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide (CID 115186351) is 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide is CCC(CO)C(=O)Nc1cc(C)c(OC)c(C)c1C.
What is the InChIKey of 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide?
The InChIKey is XQLAXLYOTRVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-12(8-17)15(18)16-13-7-9(2)14(19-5)11(4)10(13)3/h7,12,17H,6,8H2,1-5H3,(H,16,18).
What are the key properties of 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide?
2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide is sourced from PubChem (CID 115186351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).