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

C19H34N2O2 — CID 66794239

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide
SMILESCCCCN(C)C(=O)CCCC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C19H34N2O2/c1-3-4-14-20(2)18(22)12-7-13-19(23)21-15-8-10-16-9-5-6-11-17(16)21/h16-17H,3-15H2,1-2H3
InChIKeyXDJALMDVOORVMS-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.60
Rot. Bonds7

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

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide (PubChem CID 66794239) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide
PubChem CID66794239
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide
SMILESCCCCN(C)C(=O)CCCC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C19H34N2O2/c1-3-4-14-20(2)18(22)12-7-13-19(23)21-15-8-10-16-9-5-6-11-17(16)21/h16-17H,3-15H2,1-2H3
InChIKeyXDJALMDVOORVMS-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

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide 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

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-benzyl-N-methyl-5-oxopentanamide
CID 66794666
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-5-oxopentanamide
CID 91341377
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43406528
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide
CID 66794984
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-oxo-N-propylhexanamide
CID 66794351
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-chlorobutan-1-one
CID 63309531
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)dodecane-1,3-dione
CID 87568275
2-cyclopentyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 116655257
1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 60978651
2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61008209
1-(2-cyclohexylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60946958

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide (CID 66794239) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide is CCCCN(C)C(=O)CCCC(=O)N1CCCC2CCCCC21.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide?
The InChIKey is XDJALMDVOORVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-3-4-14-20(2)18(22)12-7-13-19(23)21-15-8-10-16-9-5-6-11-17(16)21/h16-17H,3-15H2,1-2H3.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide 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 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide is sourced from PubChem (CID 66794239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).