N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide

C12H17NO2 — CID 115138834

IUPACN-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCc1ccc(N(C)C(=O)CCO)c(C)c1
InChIInChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)13(3)12(15)6-7-14/h4-5,8,14H,6-7H2,1-3H3
InChIKeyRFSDTXYAIPFGRL-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.65
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115138834) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
PubChem CID115138834
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCc1ccc(N(C)C(=O)CCO)c(C)c1
InChIInChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)13(3)12(15)6-7-14/h4-5,8,14H,6-7H2,1-3H3
InChIKeyRFSDTXYAIPFGRL-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-dimethylphenyl)-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

N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
CID 79349510
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 115138893
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62500171
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 60537657
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 62003259

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide (CID 115138834) is N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide is Cc1ccc(N(C)C(=O)CCO)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is RFSDTXYAIPFGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)13(3)12(15)6-7-14/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide?
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 207.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115138834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).