3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

C13H16N2O2 — CID 94685610

IUPAC3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)CCC#N
InChIInChI=1S/C13H16N2O2/c1-15(13(16)8-5-9-14)10-11-6-3-4-7-12(11)17-2/h3-4,6-7H,5,8,10H2,1-2H3
InChIKeyXSQYQIALTOGHPV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.96
Rot. Bonds5

About 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide

3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 94685610) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID94685610
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccccc1CN(C)C(=O)CCC#N
InChIInChI=1S/C13H16N2O2/c1-15(13(16)8-5-9-14)10-11-6-3-4-7-12(11)17-2/h3-4,6-7H,5,8,10H2,1-2H3
InChIKeyXSQYQIALTOGHPV-UHFFFAOYSA-N
XLogP1.96
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
3-cyano-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694137
N'-(2-cyanoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-N'-phenylbutanediamide
CID 56540043
N-[(2-methoxyphenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62212494
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911597
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55684776

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide (CID 94685610) is 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccccc1CN(C)C(=O)CCC#N.
What is the InChIKey of 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is XSQYQIALTOGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15(13(16)8-5-9-14)10-11-6-3-4-7-12(11)17-2/h3-4,6-7H,5,8,10H2,1-2H3.
What are the key properties of 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide?
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 232.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 94685610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).