N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide

C25H25N3O2 — CID 4788717

IUPACN,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
SMILESCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C25H25N3O2/c1-19(28-18-24(29)26-22-14-8-9-15-23(22)28)25(30)27(16-20-10-4-2-5-11-20)17-21-12-6-3-7-13-21/h2-15,19H,16-18H2,1H3,(H,26,29)
InChIKeyRYJCGOWGAKEHGQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.06
Rot. Bonds6

About N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide

N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide (PubChem CID 4788717) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
PubChem CID4788717
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
SMILESCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C25H25N3O2/c1-19(28-18-24(29)26-22-14-8-9-15-23(22)28)25(30)27(16-20-10-4-2-5-11-20)17-21-12-6-3-7-13-21/h2-15,19H,16-18H2,1H3,(H,26,29)
InChIKeyRYJCGOWGAKEHGQ-UHFFFAOYSA-N
XLogP4.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
CID 43174942
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-[(2-phenylacetyl)amino]acetate
CID 8736189
3-methyl-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166796022
4-[(2R)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8789013
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-phenylsulfanylacetate
CID 8947617
benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 8533354
N,N-dibenzyl-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101195

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide?
The IUPAC name of N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide (CID 4788717) is N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide.
What is the SMILES notation for N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide?
The canonical SMILES for N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide is CC(C(=O)N(Cc1ccccc1)Cc1ccccc1)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide?
The InChIKey is RYJCGOWGAKEHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-19(28-18-24(29)26-22-14-8-9-15-23(22)28)25(30)27(16-20-10-4-2-5-11-20)17-21-12-6-3-7-13-21/h2-15,19H,16-18H2,1H3,(H,26,29).
What are the key properties of N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide?
N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide has a molecular weight of 399.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide is sourced from PubChem (CID 4788717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).