2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide

C13H16N2O2 — CID 82115986

IUPAC2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1cccc(CC(C#N)C(=O)N(C)C)c1
InChIInChI=1S/C13H16N2O2/c1-15(2)13(16)11(9-14)7-10-5-4-6-12(8-10)17-3/h4-6,8,11H,7H2,1-3H3
InChIKeyXTRNASVWDUXPHC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.47
Rot. Bonds4

About 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide

2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide (PubChem CID 82115986) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide
PubChem CID82115986
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1cccc(CC(C#N)C(=O)N(C)C)c1
InChIInChI=1S/C13H16N2O2/c1-15(2)13(16)11(9-14)7-10-5-4-6-12(8-10)17-3/h4-6,8,11H,7H2,1-3H3
InChIKeyXTRNASVWDUXPHC-UHFFFAOYSA-N
XLogP1.47
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile
CID 82076974
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 141033411
4-[1-cyano-2-(3-methoxyphenyl)ethyl]benzoic acid
CID 82141126
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
2-cyano-N,N-dimethyl-3-(4-propan-2-ylphenyl)propanamide
CID 82118131
5-[1-cyano-2-(3-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 82141134
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-(3-methoxybenzoyl)butanenitrile
CID 15416394
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
CID 763346
1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
CID 134104762
2-(3-methoxyphenoxy)-N,N-dimethylbutanamide
CID 46778420

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide (CID 82115986) is 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide is COc1cccc(CC(C#N)C(=O)N(C)C)c1.
What is the InChIKey of 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide?
The InChIKey is XTRNASVWDUXPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15(2)13(16)11(9-14)7-10-5-4-6-12(8-10)17-3/h4-6,8,11H,7H2,1-3H3.
What are the key properties of 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide?
2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide has a molecular weight of 232.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 82115986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).