2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide

C15H20N2O — CID 115173165

IUPAC2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
SMILESCc1cc(C)c(C)c(CN(C)C(=O)CC#N)c1C
InChIInChI=1S/C15H20N2O/c1-10-8-11(2)13(4)14(12(10)3)9-17(5)15(18)6-7-16/h8H,6,9H2,1-5H3
InChIKeyWAJDKEFIZZWNRN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.79
Rot. Bonds3

About 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide

2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide (PubChem CID 115173165) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
PubChem CID115173165
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
SMILESCc1cc(C)c(C)c(CN(C)C(=O)CC#N)c1C
InChIInChI=1S/C15H20N2O/c1-10-8-11(2)13(4)14(12(10)3)9-17(5)15(18)6-7-16/h8H,6,9H2,1-5H3
InChIKeyWAJDKEFIZZWNRN-UHFFFAOYSA-N
XLogP2.79
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226
2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 82130384
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2-cyano-N-methylacetamide
CID 115173174
N-methyl-N-[2-(2,3,5,6-tetramethylphenyl)ethyl]acetamide
CID 115191285
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
3-amino-N,2-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153731
2-methyl-3-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propanoic acid
CID 115219486
2-cyano-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115173225
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
2-cyano-N-(4-methoxy-2,3,6-trimethylphenyl)-N-methylacetamide
CID 115173052
(E)-4-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]but-2-enoic acid
CID 115237198
2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide
CID 165346740

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide (CID 115173165) is 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide is Cc1cc(C)c(C)c(CN(C)C(=O)CC#N)c1C.
What is the InChIKey of 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide?
The InChIKey is WAJDKEFIZZWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-8-11(2)13(4)14(12(10)3)9-17(5)15(18)6-7-16/h8H,6,9H2,1-5H3.
What are the key properties of 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide?
2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide has a molecular weight of 244.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide is sourced from PubChem (CID 115173165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).