N-(2,4-dimethoxyphenyl)-2-methylbutanamide

C13H19NO3 — CID 3140488

IUPACN-(2,4-dimethoxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO3/c1-5-9(2)13(15)14-11-7-6-10(16-3)8-12(11)17-4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyIXWNTEKSRFATRX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.69
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-methylbutanamide

N-(2,4-dimethoxyphenyl)-2-methylbutanamide (PubChem CID 3140488) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methylbutanamide
PubChem CID3140488
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C13H19NO3/c1-5-9(2)13(15)14-11-7-6-10(16-3)8-12(11)17-4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyIXWNTEKSRFATRX-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethoxyphenyl)-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylbutanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylbutanamide (CID 3140488) is N-(2,4-dimethoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methylbutanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methylbutanamide?
The InChIKey is IXWNTEKSRFATRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-9(2)13(15)14-11-7-6-10(16-3)8-12(11)17-4/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methylbutanamide?
N-(2,4-dimethoxyphenyl)-2-methylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 3140488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).