6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide

C22H36N2O2 — CID 123851687

IUPAC6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide
SMILESO=C(CCCCC(=O)N1CCCC2CCCC=C21)NCC1CCCCC1
InChIInChI=1S/C22H36N2O2/c25-21(23-17-18-9-2-1-3-10-18)14-6-7-15-22(26)24-16-8-12-19-11-4-5-13-20(19)24/h13,18-19H,1-12,14-17H2,(H,23,25)
InChIKeyIVNMYUIIFBEJIY-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.55
Rot. Bonds7

About 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide

6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide (PubChem CID 123851687) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide
PubChem CID123851687
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide
SMILESO=C(CCCCC(=O)N1CCCC2CCCC=C21)NCC1CCCCC1
InChIInChI=1S/C22H36N2O2/c25-21(23-17-18-9-2-1-3-10-18)14-6-7-15-22(26)24-16-8-12-19-11-4-5-13-20(19)24/h13,18-19H,1-12,14-17H2,(H,23,25)
InChIKeyIVNMYUIIFBEJIY-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide with MolForge

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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~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
N-{[1-(Cyclopropylmethyl)-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL]methyl}-2-methylpropanamide
CID 124073412

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide?
The IUPAC name of 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide (CID 123851687) is 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide.
What is the SMILES notation for 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide?
The canonical SMILES for 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide is O=C(CCCCC(=O)N1CCCC2CCCC=C21)NCC1CCCCC1.
What is the InChIKey of 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide?
The InChIKey is IVNMYUIIFBEJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c25-21(23-17-18-9-2-1-3-10-18)14-6-7-15-22(26)24-16-8-12-19-11-4-5-13-20(19)24/h13,18-19H,1-12,14-17H2,(H,23,25).
What are the key properties of 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide?
6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide has a molecular weight of 360.54 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(cyclohexylmethyl)-6-oxohexanamide is sourced from PubChem (CID 123851687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).