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

C18H33N3O3 — CID 60503720

IUPAC2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)CC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C18H33N3O3/c1-19(2)17(22)13-20(11-12-24-3)14-18(23)21-10-6-8-15-7-4-5-9-16(15)21/h15-16H,4-14H2,1-3H3
InChIKeySNESNYGGLYTJKG-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.20
Rot. Bonds7

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

2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 60503720) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID60503720
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)CC(=O)N1CCCC2CCCCC21
InChIInChI=1S/C18H33N3O3/c1-19(2)17(22)13-20(11-12-24-3)14-18(23)21-10-6-8-15-7-4-5-9-16(15)21/h15-16H,4-14H2,1-3H3
InChIKeySNESNYGGLYTJKG-UHFFFAOYSA-N
XLogP1.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 60503720) is 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)CC(=O)N1CCCC2CCCCC21.
What is the InChIKey of 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is SNESNYGGLYTJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-19(2)17(22)13-20(11-12-24-3)14-18(23)21-10-6-8-15-7-4-5-9-16(15)21/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 339.48 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 60503720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).