N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide

C13H19NO2 — CID 115139140

IUPACN-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCc1ccc(CN(C)C(=O)CCO)c(C)c1
InChIInChI=1S/C13H19NO2/c1-10-4-5-12(11(2)8-10)9-14(3)13(16)6-7-15/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyVLQAQOBXWREJCP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide

N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide (PubChem CID 115139140) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
PubChem CID115139140
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCc1ccc(CN(C)C(=O)CCO)c(C)c1
InChIInChI=1S/C13H19NO2/c1-10-4-5-12(11(2)8-10)9-14(3)13(16)6-7-15/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyVLQAQOBXWREJCP-UHFFFAOYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide 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

5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
N-[(5-tert-butyl-2-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139147
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78914540
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 81087736
4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
CID 115163051
N-[(2,4-dimethylphenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 33045526
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide
CID 18117086

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide (CID 115139140) is N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide is Cc1ccc(CN(C)C(=O)CCO)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
The InChIKey is VLQAQOBXWREJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-4-5-12(11(2)8-10)9-14(3)13(16)6-7-15/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide?
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115139140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).