N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide

C23H26N4O3 — CID 53129358

IUPACN-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide
SMILESCNC(=O)CCc1nc2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O
InChIInChI=1S/C23H26N4O3/c1-24-21(28)14-13-19-23(30)27(20-12-6-5-11-18(20)26-19)16-22(29)25-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12H,7,10,13-16H2,1H3,(H,24,28)(H,25,29)
InChIKeyLCAKEBSCOUHZIE-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.82
Rot. Bonds9

About N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide

N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide (PubChem CID 53129358) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide
PubChem CID53129358
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide
SMILESCNC(=O)CCc1nc2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O
InChIInChI=1S/C23H26N4O3/c1-24-21(28)14-13-19-23(30)27(20-12-6-5-11-18(20)26-19)16-22(29)25-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12H,7,10,13-16H2,1H3,(H,24,28)(H,25,29)
InChIKeyLCAKEBSCOUHZIE-UHFFFAOYSA-N
XLogP1.82
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-[(2-bromophenyl)methylamino]-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129366
3-[4-[2-(4-bromoanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129343
3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391437
3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129324
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
3-[4-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129317
N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985995
N-methyl-3-[4-[2-(3-methylsulfanylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129349
3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129365
N-benzyl-3-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 50833138
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
3-[4-[(2-chloro-6-fluorophenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(2-phenylethyl)propanamide
CID 122176425

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide?
The IUPAC name of N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide (CID 53129358) is N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide.
What is the SMILES notation for N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide?
The canonical SMILES for N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide is CNC(=O)CCc1nc2ccccc2n(CC(=O)NCCCc2ccccc2)c1=O.
What is the InChIKey of N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide?
The InChIKey is LCAKEBSCOUHZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-24-21(28)14-13-19-23(30)27(20-12-6-5-11-18(20)26-19)16-22(29)25-15-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12H,7,10,13-16H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide?
N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-oxo-4-[2-oxo-2-(3-phenylpropylamino)ethyl]quinoxalin-2-yl]propanamide is sourced from PubChem (CID 53129358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).