2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile

C17H22N2O — CID 62962017

IUPAC2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(C2CC(NC3CCCC3C#N)C2)cc1
InChIInChI=1S/C17H22N2O/c1-20-16-7-5-12(6-8-16)14-9-15(10-14)19-17-4-2-3-13(17)11-18/h5-8,13-15,17,19H,2-4,9-10H2,1H3
InChIKeyFRSHHISBNSQWFV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.22
Rot. Bonds4

About 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile

2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile (PubChem CID 62962017) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
PubChem CID62962017
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(C2CC(NC3CCCC3C#N)C2)cc1
InChIInChI=1S/C17H22N2O/c1-20-16-7-5-12(6-8-16)14-9-15(10-14)19-17-4-2-3-13(17)11-18/h5-8,13-15,17,19H,2-4,9-10H2,1H3
InChIKeyFRSHHISBNSQWFV-UHFFFAOYSA-N
XLogP3.22
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile (CID 62962017) is 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile is COc1ccc(C2CC(NC3CCCC3C#N)C2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is FRSHHISBNSQWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-16-7-5-12(6-8-16)14-9-15(10-14)19-17-4-2-3-13(17)11-18/h5-8,13-15,17,19H,2-4,9-10H2,1H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62962017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).