N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide

C24H31N3O — CID 69336355

IUPACN-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide
SMILESCN1CCN(c2ccccc2CCNC(=O)c2ccccc2)C2CCCCC21
InChIInChI=1S/C24H31N3O/c1-26-17-18-27(23-14-8-7-13-22(23)26)21-12-6-5-9-19(21)15-16-25-24(28)20-10-3-2-4-11-20/h2-6,9-12,22-23H,7-8,13-18H2,1H3,(H,25,28)
InChIKeyMYPNWIHQXMJYPQ-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.72
Rot. Bonds5

About N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide

N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide (PubChem CID 69336355) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide
PubChem CID69336355
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide
SMILESCN1CCN(c2ccccc2CCNC(=O)c2ccccc2)C2CCCCC21
InChIInChI=1S/C24H31N3O/c1-26-17-18-27(23-14-8-7-13-22(23)26)21-12-6-5-9-19(21)15-16-25-24(28)20-10-3-2-4-11-20/h2-6,9-12,22-23H,7-8,13-18H2,1H3,(H,25,28)
InChIKeyMYPNWIHQXMJYPQ-UHFFFAOYSA-N
XLogP3.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide 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

4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 18425385
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide
CID 19811110
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride
CID 173361765
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[2-[2-[(1-ethylpyrrolidin-2-yl)methoxy]phenyl]ethyl]benzamide
CID 18425364
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
CID 109052000
2-(2-benzamidoethyl)benzamide
CID 173153264
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
N-[2-[(1,3-dimethyl-1,3,2-diazaphospholidin-2-yl)sulfanyl]ethyl]benzamide
CID 134471122

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide (CID 69336355) is N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide is CN1CCN(c2ccccc2CCNC(=O)c2ccccc2)C2CCCCC21.
What is the InChIKey of N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is MYPNWIHQXMJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-26-17-18-27(23-14-8-7-13-22(23)26)21-12-6-5-9-19(21)15-16-25-24(28)20-10-3-2-4-11-20/h2-6,9-12,22-23H,7-8,13-18H2,1H3,(H,25,28).
What are the key properties of N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide?
N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 377.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 69336355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).