N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C16H22N2O — CID 2123034

IUPACN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NC1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(17-15-7-3-4-8-15)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-2,5-6,15H,3-4,7-12H2,(H,17,19)
InChIKeyAQGYYNJTQZNQML-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.10
Rot. Bonds3

About N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 2123034) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID2123034
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NC1CCCC1
InChIInChI=1S/C16H22N2O/c19-16(17-15-7-3-4-8-15)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-2,5-6,15H,3-4,7-12H2,(H,17,19)
InChIKeyAQGYYNJTQZNQML-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide 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 N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 2123034) is N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2ccccc2C1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is AQGYYNJTQZNQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(17-15-7-3-4-8-15)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-2,5-6,15H,3-4,7-12H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 2123034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).