2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide

C15H20N2O2 — CID 115188213

IUPAC2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H20N2O2/c1-6-12(9-16)15(18)17(4)13-7-11(3)14(19-5)8-10(13)2/h7-8,12H,6H2,1-5H3
InChIKeyDFSWSYPJCBNGGS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.82
Rot. Bonds4

About 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide

2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide (PubChem CID 115188213) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide
PubChem CID115188213
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H20N2O2/c1-6-12(9-16)15(18)17(4)13-7-11(3)14(19-5)8-10(13)2/h7-8,12H,6H2,1-5H3
InChIKeyDFSWSYPJCBNGGS-UHFFFAOYSA-N
XLogP2.82
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide 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

2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
CID 115188196
methyl 2-(4-methoxy-N,2,5-trimethylanilino)-2-oxoacetate
CID 115142263
2-[(2-methoxy-N,4,5-trimethylanilino)methyl]butanenitrile
CID 115253639
2,2,2-trifluoro-N-(4-methoxy-2,5-dimethylphenyl)-N-methylacetamide
CID 115190174
3-amino-N-(4-methoxy-2,5-dimethylphenyl)-N,2,2-trimethylpropanamide
CID 115154573
2-(2,4-dimethoxy-6-methylbenzoyl)butanenitrile
CID 116923746
2-(2,4,5-trimethoxybenzoyl)butanenitrile
CID 43670546
2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188455
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
2-cyano-N-(4-cyanophenyl)-N-methylbutanamide
CID 62981149
2-(3-bromo-4-methoxybenzoyl)butanenitrile
CID 61034193

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide?
The IUPAC name of 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide (CID 115188213) is 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide?
The canonical SMILES for 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide is CCC(C#N)C(=O)N(C)c1cc(C)c(OC)cc1C.
What is the InChIKey of 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide?
The InChIKey is DFSWSYPJCBNGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-6-12(9-16)15(18)17(4)13-7-11(3)14(19-5)8-10(13)2/h7-8,12H,6H2,1-5H3.
What are the key properties of 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide?
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide is sourced from PubChem (CID 115188213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).