N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide

C14H18N2O — CID 62678428

IUPACN-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C14H18N2O/c1-5-14(3,4)13(17)16-12-8-11(9-15)7-6-10(12)2/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyJJTCKJKFOHQDRQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.24
Rot. Bonds3

About N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide

N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide (PubChem CID 62678428) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
PubChem CID62678428
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C14H18N2O/c1-5-14(3,4)13(17)16-12-8-11(9-15)7-6-10(12)2/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyJJTCKJKFOHQDRQ-UHFFFAOYSA-N
XLogP3.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyano-2-hydroxyphenyl)-2,2-dimethylbutanamide
CID 58716032
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
3-(5-cyano-2-methylphenyl)-1,1-diethylurea
CID 78983855
N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602590
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
2-(5-cyano-2-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 47475196
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
3-(ethylamino)-4-methylbenzonitrile
CID 62105760
N-(5-cyano-2-methylphenyl)-2-ethylhexanamide
CID 47475993
methyl 2-(5-cyano-2-methylanilino)-2-oxoacetate
CID 112617117
N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 64919411
2-(5-cyano-2-methylanilino)-N-ethylacetamide
CID 62059546

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide (CID 62678428) is N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(C#N)ccc1C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide?
The InChIKey is JJTCKJKFOHQDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-5-14(3,4)13(17)16-12-8-11(9-15)7-6-10(12)2/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide?
N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide has a molecular weight of 230.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 62678428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).