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

C20H28N2O3 — CID 75279024

IUPACN-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide
SMILESCCCC1CC(=O)NC2CC(NC(=O)COc3ccccc3)CCC12
InChIInChI=1S/C20H28N2O3/c1-2-6-14-11-19(23)22-18-12-15(9-10-17(14)18)21-20(24)13-25-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,2,6,9-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyPAHOTVJDFJISCJ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.66
Rot. Bonds6

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

N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide (PubChem CID 75279024) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide
PubChem CID75279024
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide
SMILESCCCC1CC(=O)NC2CC(NC(=O)COc3ccccc3)CCC12
InChIInChI=1S/C20H28N2O3/c1-2-6-14-11-19(23)22-18-12-15(9-10-17(14)18)21-20(24)13-25-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,2,6,9-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyPAHOTVJDFJISCJ-UHFFFAOYSA-N
XLogP2.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide with MolForge

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Related Compounds

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide
CID 75280028
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 75280528
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide
CID 75279918
2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278967
4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylbutanamide
CID 75280046
2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide
CID 75279904
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide
CID 75280043
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
2-fluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75279987
N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-phenylsulfanylpropanamide
CID 75279875

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide (CID 75279024) is N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide is CCCC1CC(=O)NC2CC(NC(=O)COc3ccccc3)CCC12.
What is the InChIKey of N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide?
The InChIKey is PAHOTVJDFJISCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-6-14-11-19(23)22-18-12-15(9-10-17(14)18)21-20(24)13-25-16-7-4-3-5-8-16/h3-5,7-8,14-15,17-18H,2,6,9-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide?
N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide has a molecular weight of 344.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide is sourced from PubChem (CID 75279024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).