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

C19H34N2O2 — CID 66794964

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCC(=O)N1CCC2CCCCC2C1
InChIInChI=1S/C19H34N2O2/c1-3-13-20(2)18(22)10-6-7-11-19(23)21-14-12-16-8-4-5-9-17(16)15-21/h16-17H,3-15H2,1-2H3
InChIKeyPFSOITWKOKFYIG-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.45
Rot. Bonds7

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

6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide (PubChem CID 66794964) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide
PubChem CID66794964
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCC(=O)N1CCC2CCCCC2C1
InChIInChI=1S/C19H34N2O2/c1-3-13-20(2)18(22)10-6-7-11-19(23)21-14-12-16-8-4-5-9-17(16)15-21/h16-17H,3-15H2,1-2H3
InChIKeyPFSOITWKOKFYIG-UHFFFAOYSA-N
XLogP3.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide 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 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide (CID 66794964) is 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide is CCCN(C)C(=O)CCCCC(=O)N1CCC2CCCCC2C1.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide?
The InChIKey is PFSOITWKOKFYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-3-13-20(2)18(22)10-6-7-11-19(23)21-14-12-16-8-4-5-9-17(16)15-21/h16-17H,3-15H2,1-2H3.
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide?
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-6-oxo-N-propylhexanamide has a molecular weight of 322.49 g/mol, XLogP of 3.45, 7 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-methyl-6-oxo-N-propylhexanamide is sourced from PubChem (CID 66794964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).