N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide

C21H23N3O2 — CID 134015345

IUPACN-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-21(2,3)16-9-5-6-10-17(16)23-20(26)12-13-24-18-11-7-4-8-15(18)19(25)14-22-24/h4-11,14H,12-13H2,1-3H3,(H,23,26)
InChIKeyPKBTYJBSTVGIAG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.72
Rot. Bonds4

About N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide

N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 134015345) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID134015345
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-21(2,3)16-9-5-6-10-17(16)23-20(26)12-13-24-18-11-7-4-8-15(18)19(25)14-22-24/h4-11,14H,12-13H2,1-3H3,(H,23,26)
InChIKeyPKBTYJBSTVGIAG-UHFFFAOYSA-N
XLogP3.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085
N-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
CID 87001719
N-[4-(2-hydroxyethyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 110922929
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
N-[4-[3-(4-oxocinnolin-1-yl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55501351

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 134015345) is N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide is CC(C)(C)c1ccccc1NC(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is PKBTYJBSTVGIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)16-9-5-6-10-17(16)23-20(26)12-13-24-18-11-7-4-8-15(18)19(25)14-22-24/h4-11,14H,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 134015345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).