N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide

C22H25N3O2 — CID 42896905

IUPACN-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(C)CC(NC(=O)CCn1ncc(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16(2)14-19(17-8-4-3-5-9-17)24-22(27)12-13-25-20-11-7-6-10-18(20)21(26)15-23-25/h3-11,15-16,19H,12-14H2,1-2H3,(H,24,27)
InChIKeyRGRPGNRLPBRMAY-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.69
Rot. Bonds7

About N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide

N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 42896905) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID42896905
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(C)CC(NC(=O)CCn1ncc(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-16(2)14-19(17-8-4-3-5-9-17)24-22(27)12-13-25-20-11-7-6-10-18(20)21(26)15-23-25/h3-11,15-16,19H,12-14H2,1-2H3,(H,24,27)
InChIKeyRGRPGNRLPBRMAY-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide 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-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254964
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51254932
3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51265428
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51926199
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55795556
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 78839255
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-[1-(4-bromophenyl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55414888

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 42896905) is N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide is CC(C)CC(NC(=O)CCn1ncc(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is RGRPGNRLPBRMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(2)14-19(17-8-4-3-5-9-17)24-22(27)12-13-25-20-11-7-6-10-18(20)21(26)15-23-25/h3-11,15-16,19H,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 42896905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).