2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide

C14H18N2O3 — CID 115188196

IUPAC2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H18N2O3/c1-5-10(9-15)14(17)16(2)12-8-11(18-3)6-7-13(12)19-4/h6-8,10H,5H2,1-4H3
InChIKeyFSBRLUFQDCLWCI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.22
Rot. Bonds5

About 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide

2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide (PubChem CID 115188196) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
PubChem CID115188196
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
SMILESCCC(C#N)C(=O)N(C)c1cc(OC)ccc1OC
InChIInChI=1S/C14H18N2O3/c1-5-10(9-15)14(17)16(2)12-8-11(18-3)6-7-13(12)19-4/h6-8,10H,5H2,1-4H3
InChIKeyFSBRLUFQDCLWCI-UHFFFAOYSA-N
XLogP2.22
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-(2,5-dimethoxyphenyl)-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

1-cyano-N-(2,5-dimethoxyphenyl)-N-methylformamide
CID 115171966
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)-N-methylbutanamide
CID 115188213
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206
2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
2-(2,5-dimethoxybenzoyl)pentanenitrile
CID 79405162
2-cyano-N-(2-methoxy-5-methylphenyl)-N,3-dimethylbutanamide
CID 115188555
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid
CID 133150447
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
3-(2,4-dimethoxy-N-methylanilino)-2-methyl-3-oxopropanoic acid
CID 115164190

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide?
The IUPAC name of 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide (CID 115188196) is 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide?
The canonical SMILES for 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide is CCC(C#N)C(=O)N(C)c1cc(OC)ccc1OC.
What is the InChIKey of 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide?
The InChIKey is FSBRLUFQDCLWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-5-10(9-15)14(17)16(2)12-8-11(18-3)6-7-13(12)19-4/h6-8,10H,5H2,1-4H3.
What are the key properties of 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide?
2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide has a molecular weight of 262.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide is sourced from PubChem (CID 115188196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).