5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide

C25H37N3O2 — CID 123360631

IUPAC5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C25H37N3O2/c1-26(2)18-19-27(20-21-10-4-3-5-11-21)24(29)15-8-16-25(30)28-17-9-13-22-12-6-7-14-23(22)28/h3-5,10-11,14,22H,6-9,12-13,15-20H2,1-2H3
InChIKeyKYPRBQPYTOHKNV-UHFFFAOYSA-N
MW411.59 g/mol
LogP4.05
Rot. Bonds9

About 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide

5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide (PubChem CID 123360631) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide
PubChem CID123360631
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C25H37N3O2/c1-26(2)18-19-27(20-21-10-4-3-5-11-21)24(29)15-8-16-25(30)28-17-9-13-22-12-6-7-14-23(22)28/h3-5,10-11,14,22H,6-9,12-13,15-20H2,1-2H3
InChIKeyKYPRBQPYTOHKNV-UHFFFAOYSA-N
XLogP4.05
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide 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

5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(2-amino-2-oxoethyl)-5-oxo-N-(2-phenylethyl)pentanamide
CID 123948744
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-5-(4-benzhydrylpiperazin-1-yl)pentane-1,5-dione
CID 66794939
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-cyclooctyl-5-oxopentanamide
CID 123268617
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-benzyl-N-methyl-5-oxopentanamide
CID 66794666
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 60936936
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115
N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123856748

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide?
The IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide (CID 123360631) is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide?
The canonical SMILES for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide is CN(C)CCN(Cc1ccccc1)C(=O)CCCC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide?
The InChIKey is KYPRBQPYTOHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-26(2)18-19-27(20-21-10-4-3-5-11-21)24(29)15-8-16-25(30)28-17-9-13-22-12-6-7-14-23(22)28/h3-5,10-11,14,22H,6-9,12-13,15-20H2,1-2H3.
What are the key properties of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide?
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide has a molecular weight of 411.59 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide is sourced from PubChem (CID 123360631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).