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

C19H34N2O2 — CID 66794731

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C19H34N2O2/c1-3-14-20(2)18(22)12-6-7-13-19(23)21-15-8-10-16-9-4-5-11-17(16)21/h16-17H,3-15H2,1-2H3
InChIKeyOJAHEVAQYJTXAV-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.60
Rot. Bonds7

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

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide (PubChem CID 66794731) 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-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide
PubChem CID66794731
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C19H34N2O2/c1-3-14-20(2)18(22)12-6-7-13-19(23)21-15-8-10-16-9-4-5-11-17(16)21/h16-17H,3-15H2,1-2H3
InChIKeyOJAHEVAQYJTXAV-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide (CID 66794731) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide is CCCN(C)C(=O)CCCCC(=O)N1CCCC2CCCCC21.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide?
The InChIKey is OJAHEVAQYJTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-3-14-20(2)18(22)12-6-7-13-19(23)21-15-8-10-16-9-4-5-11-17(16)21/h16-17H,3-15H2,1-2H3.
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide has a molecular weight of 322.49 g/mol, XLogP of 3.60, 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-2H-quinolin-1-yl)-N-methyl-6-oxo-N-propylhexanamide is sourced from PubChem (CID 66794731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).