3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide

C18H26N2O — CID 43808408

IUPAC3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1cccc2c1CCNC2
InChIInChI=1S/C18H26N2O/c21-18(10-9-14-5-2-1-3-6-14)20-17-8-4-7-15-13-19-12-11-16(15)17/h4,7-8,14,19H,1-3,5-6,9-13H2,(H,20,21)
InChIKeyHAVODYQKKQGIHH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.63
Rot. Bonds4

About 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide

3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide (PubChem CID 43808408) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
PubChem CID43808408
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1cccc2c1CCNC2
InChIInChI=1S/C18H26N2O/c21-18(10-9-14-5-2-1-3-6-14)20-17-8-4-7-15-13-19-12-11-16(15)17/h4,7-8,14,19H,1-3,5-6,9-13H2,(H,20,21)
InChIKeyHAVODYQKKQGIHH-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 61454005
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 138021590
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-4-thiophen-2-ylbutanamide
CID 80548121
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopentane-1-carboxamide
CID 107176797
(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide
CID 104856418
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
CID 80554562
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 103806790

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide (CID 43808408) is 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide is O=C(CCC1CCCCC1)Nc1cccc2c1CCNC2.
What is the InChIKey of 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
The InChIKey is HAVODYQKKQGIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(10-9-14-5-2-1-3-6-14)20-17-8-4-7-15-13-19-12-11-16(15)17/h4,7-8,14,19H,1-3,5-6,9-13H2,(H,20,21).
What are the key properties of 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide?
3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide has a molecular weight of 286.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide is sourced from PubChem (CID 43808408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).