N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide

C24H30N2O — CID 146025769

IUPACN-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCc3ccccc3C2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O/c27-24(21-7-2-1-3-8-21)25-23-12-10-19(11-13-23)14-16-26-17-15-20-6-4-5-9-22(20)18-26/h1-9,19,23H,10-18H2,(H,25,27)
InChIKeyVLIWRKCRUPBCQS-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.42
Rot. Bonds5

About N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide

N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide (PubChem CID 146025769) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide
PubChem CID146025769
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CCN2CCc3ccccc3C2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O/c27-24(21-7-2-1-3-8-21)25-23-12-10-19(11-13-23)14-16-26-17-15-20-6-4-5-9-22(20)18-26/h1-9,19,23H,10-18H2,(H,25,27)
InChIKeyVLIWRKCRUPBCQS-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide 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-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide?
The IUPAC name of N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide (CID 146025769) is N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide.
What is the SMILES notation for N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide?
The canonical SMILES for N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide is O=C(NC1CCC(CCN2CCc3ccccc3C2)CC1)c1ccccc1.
What is the InChIKey of N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide?
The InChIKey is VLIWRKCRUPBCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c27-24(21-7-2-1-3-8-21)25-23-12-10-19(11-13-23)14-16-26-17-15-20-6-4-5-9-22(20)18-26/h1-9,19,23H,10-18H2,(H,25,27).
What are the key properties of N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide?
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide has a molecular weight of 362.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 146025769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).