N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide

C20H27N3O3 — CID 75279408

IUPACN-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide
SMILESCC1C(=O)NC2CC(NC(=O)CNC(=O)c3ccccc3)CCC2C1C
InChIInChI=1S/C20H27N3O3/c1-12-13(2)19(25)23-17-10-15(8-9-16(12)17)22-18(24)11-21-20(26)14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyJQDBBGOBSXNLJA-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.47
Rot. Bonds4

About N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide

N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide (PubChem CID 75279408) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide
PubChem CID75279408
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide
SMILESCC1C(=O)NC2CC(NC(=O)CNC(=O)c3ccccc3)CCC2C1C
InChIInChI=1S/C20H27N3O3/c1-12-13(2)19(25)23-17-10-15(8-9-16(12)17)22-18(24)11-21-20(26)14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyJQDBBGOBSXNLJA-UHFFFAOYSA-N
XLogP1.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
4-cyano-N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279377
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933
4-amino-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24692664
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 75279382
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
4-tert-butyl-N-[2-[(4-hydroxycyclohexyl)amino]-2-oxoethyl]benzamide
CID 110877644
N-[2-oxo-2-[[1-(4-phenylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550400
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 75279343
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide (CID 75279408) is N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide is CC1C(=O)NC2CC(NC(=O)CNC(=O)c3ccccc3)CCC2C1C.
What is the InChIKey of N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is JQDBBGOBSXNLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12-13(2)19(25)23-17-10-15(8-9-16(12)17)22-18(24)11-21-20(26)14-6-4-3-5-7-14/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide?
N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 75279408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).