N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide

C19H26N2O3 — CID 9017964

IUPACN-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C19H26N2O3/c1-14(22)20-16-9-3-5-11-18(16)24-13-19(23)21-12-6-8-15-7-2-4-10-17(15)21/h3,5,9,11,15,17H,2,4,6-8,10,12-13H2,1H3,(H,20,22)/t15-,17-/m1/s1
InChIKeySDWAYTNIIRKDKG-NVXWUHKLSA-N
MW330.43 g/mol
LogP3.20
Rot. Bonds4

About N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide

N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide (PubChem CID 9017964) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide
PubChem CID9017964
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C19H26N2O3/c1-14(22)20-16-9-3-5-11-18(16)24-13-19(23)21-12-6-8-15-7-2-4-10-17(15)21/h3,5,9,11,15,17H,2,4,6-8,10,12-13H2,1H3,(H,20,22)/t15-,17-/m1/s1
InChIKeySDWAYTNIIRKDKG-NVXWUHKLSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide 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

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-[2-(aminomethyl)phenoxy]ethanone
CID 65319049
N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide
CID 31675809
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289408
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
(3aR,7aR)-N-[2-(2-methylpropoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 100705765
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-iodophenoxy)ethanone
CID 55339057
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-aminophenoxy)ethanone
CID 61028305
N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867396
N-[2-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethoxy]phenyl]acetamide
CID 4552560
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-chloro-2-nitrophenoxy)ethanone
CID 78622749
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide (CID 9017964) is N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is SDWAYTNIIRKDKG-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(22)20-16-9-3-5-11-18(16)24-13-19(23)21-12-6-8-15-7-2-4-10-17(15)21/h3,5,9,11,15,17H,2,4,6-8,10,12-13H2,1H3,(H,20,22)/t15-,17-/m1/s1.
What are the key properties of N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide?
N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 9017964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).