N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C24H35N3O2 — CID 162887653

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC(C)CC(C(=O)NCC1CCCN2CCCCC12)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H35N3O2/c1-17(2)14-22(27-16-19-8-3-4-10-20(19)24(27)29)23(28)25-15-18-9-7-13-26-12-6-5-11-21(18)26/h3-4,8,10,17-18,21-22H,5-7,9,11-16H2,1-2H3,(H,25,28)
InChIKeyYTTCIZVZZGMEQV-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.44
Rot. Bonds6

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 162887653) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID162887653
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC(C)CC(C(=O)NCC1CCCN2CCCCC12)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H35N3O2/c1-17(2)14-22(27-16-19-8-3-4-10-20(19)24(27)29)23(28)25-15-18-9-7-13-26-12-6-5-11-21(18)26/h3-4,8,10,17-18,21-22H,5-7,9,11-16H2,1-2H3,(H,25,28)
InChIKeyYTTCIZVZZGMEQV-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 163086551
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-(3-oxo-1H-isoindol-2-yl)hexanamide
CID 162877545
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
CID 92688715
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 129490807
(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 40559094
2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 3711420
(2R,3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 126418485
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 162887653) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CC(C)CC(C(=O)NCC1CCCN2CCCCC12)N1Cc2ccccc2C1=O.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is YTTCIZVZZGMEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-17(2)14-22(27-16-19-8-3-4-10-20(19)24(27)29)23(28)25-15-18-9-7-13-26-12-6-5-11-21(18)26/h3-4,8,10,17-18,21-22H,5-7,9,11-16H2,1-2H3,(H,25,28).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 397.56 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 162887653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).