6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide

C22H38N2O2 — CID 66802203

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide
SMILESCN(C(=O)CCCCC(=O)N1CCC2CCCCC2C1)C1CCCCC1
InChIInChI=1S/C22H38N2O2/c1-23(20-11-3-2-4-12-20)21(25)13-7-8-14-22(26)24-16-15-18-9-5-6-10-19(18)17-24/h18-20H,2-17H2,1H3
InChIKeyANGTTWQWUQJATN-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.38
Rot. Bonds6

About 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide

6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide (PubChem CID 66802203) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide
PubChem CID66802203
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide
SMILESCN(C(=O)CCCCC(=O)N1CCC2CCCCC2C1)C1CCCCC1
InChIInChI=1S/C22H38N2O2/c1-23(20-11-3-2-4-12-20)21(25)13-7-8-14-22(26)24-16-15-18-9-5-6-10-19(18)17-24/h18-20H,2-17H2,1H3
InChIKeyANGTTWQWUQJATN-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide (CID 66802203) is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide is CN(C(=O)CCCCC(=O)N1CCC2CCCCC2C1)C1CCCCC1.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide?
The InChIKey is ANGTTWQWUQJATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-23(20-11-3-2-4-12-20)21(25)13-7-8-14-22(26)24-16-15-18-9-5-6-10-19(18)17-24/h18-20H,2-17H2,1H3.
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide?
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide has a molecular weight of 362.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-cyclohexyl-N-methyl-6-oxohexanamide is sourced from PubChem (CID 66802203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).