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

C14H18N2O3 — CID 115173226

IUPAC2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C)c(CN(C)C(=O)CC#N)c(OC)c1
InChIInChI=1S/C14H18N2O3/c1-10-7-11(18-3)8-13(19-4)12(10)9-16(2)14(17)5-6-15/h7-8H,5,9H2,1-4H3
InChIKeyAGIGAEZHVIDFDR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds5

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

2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide (PubChem CID 115173226) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
PubChem CID115173226
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1cc(C)c(CN(C)C(=O)CC#N)c(OC)c1
InChIInChI=1S/C14H18N2O3/c1-10-7-11(18-3)8-13(19-4)12(10)9-16(2)14(17)5-6-15/h7-8H,5,9H2,1-4H3
InChIKeyAGIGAEZHVIDFDR-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115173165
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2-cyano-N-methylacetamide
CID 115173174
2-hydroxy-N-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 115139976
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]-3-oxobutanenitrile
CID 117038494
2-cyano-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115173225
2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]ethanethiol
CID 115224150
1-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]formamide
CID 115172240
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyano-N-methylacetamide
CID 82131783
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N'-methyloxamide
CID 115191999
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide (CID 115173226) is 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide is COc1cc(C)c(CN(C)C(=O)CC#N)c(OC)c1.
What is the InChIKey of 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide?
The InChIKey is AGIGAEZHVIDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-7-11(18-3)8-13(19-4)12(10)9-16(2)14(17)5-6-15/h7-8H,5,9H2,1-4H3.
What are the key properties of 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide?
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115173226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).