N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide

C16H20N2O — CID 107178518

IUPACN-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H20N2O/c1-16(2)10-6-5-8-13(16)15(19)18-14-9-4-3-7-12(14)11-17/h3-4,7,9,13H,5-6,8,10H2,1-2H3,(H,18,19)
InChIKeyOREALYQKRPPVHH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.71
Rot. Bonds2

About N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107178518) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107178518
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H20N2O/c1-16(2)10-6-5-8-13(16)15(19)18-14-9-4-3-7-12(14)11-17/h3-4,7,9,13H,5-6,8,10H2,1-2H3,(H,18,19)
InChIKeyOREALYQKRPPVHH-UHFFFAOYSA-N
XLogP3.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174818
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181267
2-[2-[(2,2-dimethylcyclohexanecarbonyl)amino]phenyl]acetic acid
CID 107175401
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176027
N-(2-cyanophenyl)-1,1-dioxothiane-2-carboxamide
CID 104519233
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176029
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-chloro-3-[(2,2-dimethylcyclohexanecarbonyl)amino]benzoic acid
CID 107175125
N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760486
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-(2-cyanophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82120953

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107178518) is N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is OREALYQKRPPVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2)10-6-5-8-13(16)15(19)18-14-9-4-3-7-12(14)11-17/h3-4,7,9,13H,5-6,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107178518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).