N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide

C20H28N4O3 — CID 46357037

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCN(CCNC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21)C1CCCCC1
InChIInChI=1S/C20H28N4O3/c1-22(15-8-4-3-5-9-15)13-12-21-18(25)14-24-17-11-7-6-10-16(17)23(2)19(26)20(24)27/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H,21,25)
InChIKeyBFGYMSHLOUJKGB-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.08
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide (PubChem CID 46357037) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
PubChem CID46357037
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
SMILESCN(CCNC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21)C1CCCCC1
InChIInChI=1S/C20H28N4O3/c1-22(15-8-4-3-5-9-15)13-12-21-18(25)14-24-17-11-7-6-10-16(17)23(2)19(26)20(24)27/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H,21,25)
InChIKeyBFGYMSHLOUJKGB-UHFFFAOYSA-N
XLogP1.08
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)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

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-5-oxopyrazolo[4,5-c]isoquinolin-1-yl)acetamide
CID 68546760
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 59014323
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-oxazol-3-yl]acetamide
CID 53180472
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide
CID 25049921
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025076
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-phenylpropanamide
CID 63316114
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]acetamide
CID 110195148
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634
(2R)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95059302
N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357022

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide (CID 46357037) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide is CN(CCNC(=O)Cn1c(=O)c(=O)n(C)c2ccccc21)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
The InChIKey is BFGYMSHLOUJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-22(15-8-4-3-5-9-15)13-12-21-18(25)14-24-17-11-7-6-10-16(17)23(2)19(26)20(24)27/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 46357037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).