N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide

C16H20N2O — CID 104916891

IUPACN-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C16H20N2O/c1-16(2)9-3-4-14(16)15(19)18-11-13-7-5-12(10-17)6-8-13/h5-8,14H,3-4,9,11H2,1-2H3,(H,18,19)
InChIKeyVGKIDXHBKKTXRO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.00
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104916891) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104916891
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C16H20N2O/c1-16(2)9-3-4-14(16)15(19)18-11-13-7-5-12(10-17)6-8-13/h5-8,14H,3-4,9,11H2,1-2H3,(H,18,19)
InChIKeyVGKIDXHBKKTXRO-UHFFFAOYSA-N
XLogP3.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 104916891) is N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is VGKIDXHBKKTXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2)9-3-4-14(16)15(19)18-11-13-7-5-12(10-17)6-8-13/h5-8,14H,3-4,9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104916891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).