N-(4-cyanophenyl)-2,2-dimethylpropanamide

C12H14N2O — CID 4927441

IUPACN-(4-cyanophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O/c1-12(2,3)11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,14,15)
InChIKeyCEQSOHAXBZSAIA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.54
Rot. Bonds1

About N-(4-cyanophenyl)-2,2-dimethylpropanamide

N-(4-cyanophenyl)-2,2-dimethylpropanamide (PubChem CID 4927441) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,2-dimethylpropanamide
PubChem CID4927441
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(4-cyanophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O/c1-12(2,3)11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,14,15)
InChIKeyCEQSOHAXBZSAIA-UHFFFAOYSA-N
XLogP2.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane
CID 142563453
N-(4-cyanophenyl)prop-2-ynamide
CID 131045774
N-(4-formamidophenyl)-2,2-dimethylpropanamide
CID 64992582
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
N-(4-cyanophenyl)-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108967624
N-(2-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968904
N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108519444

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-cyanophenyl)-2,2-dimethylpropanamide (CID 4927441) is N-(4-cyanophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2,2-dimethylpropanamide?
The InChIKey is CEQSOHAXBZSAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,3)11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-(4-cyanophenyl)-2,2-dimethylpropanamide?
N-(4-cyanophenyl)-2,2-dimethylpropanamide has a molecular weight of 202.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 4927441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).