N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide

C16H20N2O — CID 104917093

IUPACN-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCCC1(C)C)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O/c1-16(2)9-5-8-14(16)15(19)18(3)13-7-4-6-12(10-13)11-17/h4,6-7,10,14H,5,8-9H2,1-3H3
InChIKeyVFKUFMDFOWONAT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.35
Rot. Bonds2

About N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide

N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide (PubChem CID 104917093) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide
PubChem CID104917093
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCCC1(C)C)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O/c1-16(2)9-5-8-14(16)15(19)18(3)13-7-4-6-12(10-13)11-17/h4,6-7,10,14H,5,8-9H2,1-3H3
InChIKeyVFKUFMDFOWONAT-UHFFFAOYSA-N
XLogP3.35
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide (CID 104917093) is N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide is CN(C(=O)C1CCCC1(C)C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The InChIKey is VFKUFMDFOWONAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2)9-5-8-14(16)15(19)18(3)13-7-4-6-12(10-13)11-17/h4,6-7,10,14H,5,8-9H2,1-3H3.
What are the key properties of N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104917093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).