2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide

C14H18N2O2 — CID 115173052

IUPAC2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide
SMILESCOc1cc(C)c(N(C)C(=O)CC#N)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-9-8-12(18-5)10(2)11(3)14(9)16(4)13(17)6-7-15/h8H,6H2,1-5H3
InChIKeyIWSVVSXBFXKPBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.50
Rot. Bonds3

About 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide

2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide (PubChem CID 115173052) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide
PubChem CID115173052
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide
SMILESCOc1cc(C)c(N(C)C(=O)CC#N)c(C)c1C
InChIInChI=1S/C14H18N2O2/c1-9-8-12(18-5)10(2)11(3)14(9)16(4)13(17)6-7-15/h8H,6H2,1-5H3
InChIKeyIWSVVSXBFXKPBV-UHFFFAOYSA-N
XLogP2.50
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
CID 115173142
2-amino-3-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylpropanamide
CID 115179793
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2-cyano-N-methylacetamide
CID 115173174
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226
N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173025
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391
5-(4-methoxy-N,2,3,6-tetramethylanilino)pentan-2-one
CID 115236416
2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115173165
2-cyano-N-[(2,5-dimethoxy-4-methylphenyl)methyl]acetamide
CID 115173100
2-[(4-methoxy-2,3,6-trimethylphenyl)methoxy]-N-methylacetohydrazide
CID 116845415
N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173041

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide?
The IUPAC name of 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide (CID 115173052) is 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide is COc1cc(C)c(N(C)C(=O)CC#N)c(C)c1C.
What is the InChIKey of 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide?
The InChIKey is IWSVVSXBFXKPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-8-12(18-5)10(2)11(3)14(9)16(4)13(17)6-7-15/h8H,6H2,1-5H3.
What are the key properties of 2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide?
2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide has a molecular weight of 246.31 g/mol, XLogP of 2.50, 3 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-2,3,6-trimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 115173052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).