4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide

C15H23NO2 — CID 115163051

IUPAC4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CN(C)C(=O)CCCO)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-13(3)14(9-12(11)2)10-16(4)15(18)6-5-7-17/h8-9,17H,5-7,10H2,1-4H3
InChIKeyXQVPKQAFTFUBHZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds5

About 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide

4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide (PubChem CID 115163051) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
PubChem CID115163051
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CN(C)C(=O)CCCO)cc1C
InChIInChI=1S/C15H23NO2/c1-11-8-13(3)14(9-12(11)2)10-16(4)15(18)6-5-7-17/h8-9,17H,5-7,10H2,1-4H3
InChIKeyXQVPKQAFTFUBHZ-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]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

4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115163709
N-methyl-3-sulfanyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115167953
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139147
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115179983
4-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]butanoic acid
CID 114078387
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167934

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide (CID 115163051) is 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide is Cc1cc(C)c(CN(C)C(=O)CCCO)cc1C.
What is the InChIKey of 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide?
The InChIKey is XQVPKQAFTFUBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-13(3)14(9-12(11)2)10-16(4)15(18)6-5-7-17/h8-9,17H,5-7,10H2,1-4H3.
What are the key properties of 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide?
4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide has a molecular weight of 249.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115163051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).