2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C13H16N2O — CID 3634082

IUPAC2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC#N
InChIInChI=1S/C13H16N2O/c1-9(2)11-6-4-5-10(3)13(11)15-12(16)7-8-14/h4-6,9H,7H2,1-3H3,(H,15,16)
InChIKeyQNFCWFHMYKNALU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.97
Rot. Bonds3

About 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 3634082) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID3634082
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC#N
InChIInChI=1S/C13H16N2O/c1-9(2)11-6-4-5-10(3)13(11)15-12(16)7-8-14/h4-6,9H,7H2,1-3H3,(H,15,16)
InChIKeyQNFCWFHMYKNALU-UHFFFAOYSA-N
XLogP2.97
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(4-cyanophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954616
2-(2-cyanoethylsulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 96694733
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-cyano-N-[3-methyl-2-(propan-2-ylamino)phenyl]acetamide
CID 168520610
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 3634082) is 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is QNFCWFHMYKNALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)11-6-4-5-10(3)13(11)15-12(16)7-8-14/h4-6,9H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 216.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 3634082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).