N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide

C13H19NO2 — CID 79193265

IUPACN-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCc1ccc(N(C)C(=O)CCCO)c(C)c1
InChIInChI=1S/C13H19NO2/c1-10-6-7-12(11(2)9-10)14(3)13(16)5-4-8-15/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyUPSUZTPFRGOBDH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.04
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide

N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide (PubChem CID 79193265) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
PubChem CID79193265
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
SMILESCc1ccc(N(C)C(=O)CCCO)c(C)c1
InChIInChI=1S/C13H19NO2/c1-10-6-7-12(11(2)9-10)14(3)13(16)5-4-8-15/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyUPSUZTPFRGOBDH-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115162942
2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
CID 79349510
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
N-(2-chloro-5-fluoro-4-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162954
4-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylbutanamide
CID 115162917
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
N-(2,5-dimethylphenyl)-N-methyl-3-sulfanylpropanamide
CID 115167704
N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
CID 60538754
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62815849

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide (CID 79193265) is N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide is Cc1ccc(N(C)C(=O)CCCO)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is UPSUZTPFRGOBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-6-7-12(11(2)9-10)14(3)13(16)5-4-8-15/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide?
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.04, 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)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 79193265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).