N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide

C25H23N3O2 — CID 51254964

IUPACN-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c29-24-18-26-28(23-14-8-7-13-21(23)24)16-15-25(30)27-22(20-11-5-2-6-12-20)17-19-9-3-1-4-10-19/h1-14,18,22H,15-17H2,(H,27,30)
InChIKeyMUABDQQCWQNKOT-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.89
Rot. Bonds7

About N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide

N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 51254964) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID51254964
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c29-24-18-26-28(23-14-8-7-13-21(23)24)16-15-25(30)27-22(20-11-5-2-6-12-20)17-19-9-3-1-4-10-19/h1-14,18,22H,15-17H2,(H,27,30)
InChIKeyMUABDQQCWQNKOT-UHFFFAOYSA-N
XLogP3.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 42896905
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55795556
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51265428
3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51254932
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 78839255
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
3-(4-oxocinnolin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134015511
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51926199

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 51254964) is N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is MUABDQQCWQNKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-24-18-26-28(23-14-8-7-13-21(23)24)16-15-25(30)27-22(20-11-5-2-6-12-20)17-19-9-3-1-4-10-19/h1-14,18,22H,15-17H2,(H,27,30).
What are the key properties of N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 397.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 51254964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).