2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide

C15H20N2O2 — CID 115175144

IUPAC2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)C#N)cc1C
InChIInChI=1S/C15H20N2O2/c1-11-8-12(6-7-13(11)19-5)9-17(4)14(18)15(2,3)10-16/h6-8H,9H2,1-5H3
InChIKeyVBRIDJMVTPPHJC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.51
Rot. Bonds4

About 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide

2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 115175144) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
PubChem CID115175144
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)C#N)cc1C
InChIInChI=1S/C15H20N2O2/c1-11-8-12(6-7-13(11)19-5)9-17(4)14(18)15(2,3)10-16/h6-8H,9H2,1-5H3
InChIKeyVBRIDJMVTPPHJC-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 47230621
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178823
3-amino-2-hydroxy-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropanamide
CID 115180628
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
2-cyano-N-(2-methoxy-4,5-dimethylphenyl)-N,2-dimethylpropanamide
CID 115175020
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
2-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 65061478
4-(acetamidomethyl)-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbenzamide
CID 155945610
(2S)-2-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119766961
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide (CID 115175144) is 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide is COc1ccc(CN(C)C(=O)C(C)(C)C#N)cc1C.
What is the InChIKey of 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is VBRIDJMVTPPHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-8-12(6-7-13(11)19-5)9-17(4)14(18)15(2,3)10-16/h6-8H,9H2,1-5H3.
What are the key properties of 2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide?
2-cyano-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 2.51, 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-3-methylphenyl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 115175144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).