2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide

C15H20N2O — CID 115188542

IUPAC2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)C(C#N)C(C)C)c(C)c1C
InChIInChI=1S/C15H20N2O/c1-9(2)13(8-16)15(18)17-14-7-6-10(3)11(4)12(14)5/h6-7,9,13H,1-5H3,(H,17,18)
InChIKeyDPDBMDWNYNASIF-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.35
Rot. Bonds3

About 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide

2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide (PubChem CID 115188542) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide
PubChem CID115188542
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)C(C#N)C(C)C)c(C)c1C
InChIInChI=1S/C15H20N2O/c1-9(2)13(8-16)15(18)17-14-7-6-10(3)11(4)12(14)5/h6-7,9,13H,1-5H3,(H,17,18)
InChIKeyDPDBMDWNYNASIF-UHFFFAOYSA-N
XLogP3.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(4-methoxy-2-methylphenyl)-3-methylbutanamide
CID 55129910
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043382
2-cyano-N-(3-iodo-4-methylphenyl)-3-methylbutanamide
CID 114257384
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
N-(5-bromo-2-chlorophenyl)-2-cyano-3-methylbutanamide
CID 55132641
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
2-cyano-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 62881537
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-cyano-3-methylbutanamide
CID 103193410
2-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037558
2-cyano-3-methyl-N-(6-methylnaphthalen-2-yl)butanamide
CID 115188543
N'-(2,3,4-trimethylphenyl)oxamide
CID 115191617
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide?
The IUPAC name of 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide (CID 115188542) is 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide is Cc1ccc(NC(=O)C(C#N)C(C)C)c(C)c1C.
What is the InChIKey of 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide?
The InChIKey is DPDBMDWNYNASIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9(2)13(8-16)15(18)17-14-7-6-10(3)11(4)12(14)5/h6-7,9,13H,1-5H3,(H,17,18).
What are the key properties of 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide?
2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide has a molecular weight of 244.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(2,3,4-trimethylphenyl)butanamide is sourced from PubChem (CID 115188542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).