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

C19H27N3O3 — CID 109381292

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H27N3O3/c1-13(2)18(25)19(3,4)12-20-17(24)9-10-22-15-8-6-5-7-14(15)16(23)11-21-22/h5-8,11,13,18,25H,9-10,12H2,1-4H3,(H,20,24)
InChIKeyDPYCGPIZIODIGK-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.95
Rot. Bonds7

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

N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 109381292) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID109381292
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CCn1ncc(=O)c2ccccc21
InChIInChI=1S/C19H27N3O3/c1-13(2)18(25)19(3,4)12-20-17(24)9-10-22-15-8-6-5-7-14(15)16(23)11-21-22/h5-8,11,13,18,25H,9-10,12H2,1-4H3,(H,20,24)
InChIKeyDPYCGPIZIODIGK-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 111480501
N-(1-naphthalen-1-ylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254953
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55964795
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 42896905
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
3-(4-oxocinnolin-1-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51265428
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(4-acetylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097698
3-(4-oxocinnolin-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51254932
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 86925824

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 109381292) is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide is CC(C)C(O)C(C)(C)CNC(=O)CCn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is DPYCGPIZIODIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)18(25)19(3,4)12-20-17(24)9-10-22-15-8-6-5-7-14(15)16(23)11-21-22/h5-8,11,13,18,25H,9-10,12H2,1-4H3,(H,20,24).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 109381292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).