N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide

C20H32N2O2 — CID 123873718

IUPACN-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide
SMILESO=C(NCCCC(=O)N1CCCC2CCCC=C21)C1CCCCC1
InChIInChI=1S/C20H32N2O2/c23-19(22-15-7-11-16-8-4-5-12-18(16)22)13-6-14-21-20(24)17-9-2-1-3-10-17/h12,16-17H,1-11,13-15H2,(H,21,24)
InChIKeyLXNCQNMKNRBWDO-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.77
Rot. Bonds5

About N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide

N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide (PubChem CID 123873718) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide
PubChem CID123873718
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide
SMILESO=C(NCCCC(=O)N1CCCC2CCCC=C21)C1CCCCC1
InChIInChI=1S/C20H32N2O2/c23-19(22-15-7-11-16-8-4-5-12-18(16)22)13-6-14-21-20(24)17-9-2-1-3-10-17/h12,16-17H,1-11,13-15H2,(H,21,24)
InChIKeyLXNCQNMKNRBWDO-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide 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

(4aS,8R,8aS)-N,2-dicyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 24747505
(4aS,8R,8aS)-N-butyl-2-cyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 25011505
(4aS,8R,8aS)-2-butyl-N-cyclohexyl-1-oxo-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 25011508
N~4A~-{2-[Cyclohexyl(methyl)amino]ethyl}-1-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91925188
N~1~-[2-(1-Cyclohexenyl)ethyl]-2-[1-(cyclohexylcarbonyl)-4-piperidyl]acetamide
CID 46295211
2-cyclopentyl-N-{[1-methyl-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91920200
2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196524
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
CID 110196532
2-Methyl-N-[(1-methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]propanamide
CID 110196536
N-[(1-Methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]cyclobutanecarboxamide
CID 110196538
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
CID 110196539
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide
CID 110196540

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide (CID 123873718) is N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide is O=C(NCCCC(=O)N1CCCC2CCCC=C21)C1CCCCC1.
What is the InChIKey of N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide?
The InChIKey is LXNCQNMKNRBWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-19(22-15-7-11-16-8-4-5-12-18(16)22)13-6-14-21-20(24)17-9-2-1-3-10-17/h12,16-17H,1-11,13-15H2,(H,21,24).
What are the key properties of N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide?
N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]cyclohexanecarboxamide is sourced from PubChem (CID 123873718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).