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

C26H34N2O2 — CID 66794984

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CCCC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C26H34N2O2/c1-27(19-22-12-6-11-20-9-2-4-14-23(20)22)25(29)16-7-17-26(30)28-18-8-13-21-10-3-5-15-24(21)28/h2,4,6,9,11-12,14,21,24H,3,5,7-8,10,13,15-19H2,1H3
InChIKeyIQXCCIUVVMXGCX-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.15
Rot. Bonds6

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

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide (PubChem CID 66794984) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide
PubChem CID66794984
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CCCC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C26H34N2O2/c1-27(19-22-12-6-11-20-9-2-4-14-23(20)22)25(29)16-7-17-26(30)28-18-8-13-21-10-3-5-15-24(21)28/h2,4,6,9,11-12,14,21,24H,3,5,7-8,10,13,15-19H2,1H3
InChIKeyIQXCCIUVVMXGCX-UHFFFAOYSA-N
XLogP5.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-[4-[methyl(naphthalen-1-ylmethyl)amino]-4-oxobutyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 66795023
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-benzyl-N-methyl-5-oxopentanamide
CID 66794666
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-6-oxohexanamide
CID 66802286
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-butyl-N-methyl-5-oxopentanamide
CID 66794239
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43406528
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-(4-benzhydrylpiperazin-1-yl)pentane-1,5-dione
CID 66794938
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-8-phenoxyoctane-1,5-dione
CID 158776453
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 84562994
N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123856748

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide (CID 66794984) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide is CN(Cc1cccc2ccccc12)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-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide?
The InChIKey is IQXCCIUVVMXGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-27(19-22-12-6-11-20-9-2-4-14-23(20)22)25(29)16-7-17-26(30)28-18-8-13-21-10-3-5-15-24(21)28/h2,4,6,9,11-12,14,21,24H,3,5,7-8,10,13,15-19H2,1H3.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide has a molecular weight of 406.57 g/mol, XLogP of 5.15, 6 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-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide is sourced from PubChem (CID 66794984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).