2-cyano-2-methyl-N-(2-methylphenyl)propanamide

C12H14N2O — CID 60778630

IUPAC2-cyano-2-methyl-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)(C)C#N
InChIInChI=1S/C12H14N2O/c1-9-6-4-5-7-10(9)14-11(15)12(2,3)8-13/h4-7H,1-3H3,(H,14,15)
InChIKeyNIPQLVAGGGHQSM-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.48
Rot. Bonds2

About 2-cyano-2-methyl-N-(2-methylphenyl)propanamide

2-cyano-2-methyl-N-(2-methylphenyl)propanamide (PubChem CID 60778630) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(2-methylphenyl)propanamide
PubChem CID60778630
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-cyano-2-methyl-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)(C)C#N
InChIInChI=1S/C12H14N2O/c1-9-6-4-5-7-10(9)14-11(15)12(2,3)8-13/h4-7H,1-3H3,(H,14,15)
InChIKeyNIPQLVAGGGHQSM-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
2-fluoro-2-methyl-3-(2-methylanilino)-3-oxopropanoic acid
CID 175308987
2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
CID 102107595
N-(4-bromonaphthalen-1-yl)-2-cyano-2-methylpropanamide
CID 115898158
2-cyano-N-(1H-indol-3-yl)-2-methylpropanamide
CID 115174941
(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide
CID 131850393
2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide
CID 14154832
2-cyano-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]propanamide
CID 115175277
3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 60530745
2-cyano-2-methyl-N-pyridin-2-ylpropanamide
CID 60778942

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(2-methylphenyl)propanamide (CID 60778630) is 2-cyano-2-methyl-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-2-methyl-N-(2-methylphenyl)propanamide?
The InChIKey is NIPQLVAGGGHQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-6-4-5-7-10(9)14-11(15)12(2,3)8-13/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-cyano-2-methyl-N-(2-methylphenyl)propanamide?
2-cyano-2-methyl-N-(2-methylphenyl)propanamide has a molecular weight of 202.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 60778630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).