N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide

C15H19N3O — CID 107174932

IUPACN-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(C#N)cc1N
InChIInChI=1S/C15H19N3O/c1-15(2)7-3-4-11(15)14(19)18-13-6-5-10(9-16)8-12(13)17/h5-6,8,11H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyWXOGBYUNSCJYNW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.91
Rot. Bonds2

About N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174932) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174932
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1ccc(C#N)cc1N
InChIInChI=1S/C15H19N3O/c1-15(2)7-3-4-11(15)14(19)18-13-6-5-10(9-16)8-12(13)17/h5-6,8,11H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyWXOGBYUNSCJYNW-UHFFFAOYSA-N
XLogP2.91
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107174932) is N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1ccc(C#N)cc1N.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is WXOGBYUNSCJYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)7-3-4-11(15)14(19)18-13-6-5-10(9-16)8-12(13)17/h5-6,8,11H,3-4,7,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).