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

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Related Compounds

N-(4-Methoxyphenyl)Acetamide
CID 5827
Acetamide, N-(2-methoxyphenyl)-
CID 7135
Acetoacet-o-anisidide
CID 7078
2,4-Dimethoxyaniline
CID 17652
3'-Amino-4'-methoxyacetanilide
CID 80779
2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
CID 122327
N-(4-Ethoxy-2-hydroxyphenyl)acetamide
CID 78396
N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 710605
Butanamide, N-(2,4-dimethoxyphenyl)-3-oxo-
CID 85564
Coixol
CID 10772
1-(2,4-Dimethoxyphenyl)pyrrolidine-2,5-dione
CID 3584864
2-bromo-N-(4-methoxyphenyl)-3-methylbutanamide
CID 4414641

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).