3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide

C14H18N2O3 — CID 115173817

IUPAC3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
SMILESCOc1cc(C)c(CNC(=O)CCC#N)c(OC)c1
InChIInChI=1S/C14H18N2O3/c1-10-7-11(18-2)8-13(19-3)12(10)9-16-14(17)5-4-6-15/h7-8H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyBOQNRRKJTHNSJJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.93
Rot. Bonds6

About 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide

3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide (PubChem CID 115173817) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
PubChem CID115173817
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
SMILESCOc1cc(C)c(CNC(=O)CCC#N)c(OC)c1
InChIInChI=1S/C14H18N2O3/c1-10-7-11(18-2)8-13(19-3)12(10)9-16-14(17)5-4-6-15/h7-8H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyBOQNRRKJTHNSJJ-UHFFFAOYSA-N
XLogP1.93
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]formamide
CID 115172240
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115173755
4-(2,4-dimethoxy-6-methylphenyl)-4-oxobutanenitrile
CID 116862133
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
N'-(2-cyanoethyl)-N'-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanediamide
CID 56577763
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
CID 115173936
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
CID 115173142
N-[(3-chloro-4-methoxyphenyl)methyl]-3-cyanopropanamide
CID 94690844

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide?
The IUPAC name of 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide (CID 115173817) is 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide is COc1cc(C)c(CNC(=O)CCC#N)c(OC)c1.
What is the InChIKey of 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide?
The InChIKey is BOQNRRKJTHNSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-7-11(18-2)8-13(19-3)12(10)9-16-14(17)5-4-6-15/h7-8H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide?
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide is sourced from PubChem (CID 115173817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).