N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide

C17H23N3O3 — CID 111480501

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-12(21)8-17(2,3)11-18-16(23)10-20-14-7-5-4-6-13(14)15(22)9-19-20/h4-7,9,12,21H,8,10-11H2,1-3H3,(H,18,23)
InChIKeyVRTLLZLDDGYSAS-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.31
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 111480501) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID111480501
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C17H23N3O3/c1-12(21)8-17(2,3)11-18-16(23)10-20-14-7-5-4-6-13(14)15(22)9-19-20/h4-7,9,12,21H,8,10-11H2,1-3H3,(H,18,23)
InChIKeyVRTLLZLDDGYSAS-UHFFFAOYSA-N
XLogP1.31
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 109381292
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9089700
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810
2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55415378
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
1-(2-oxopentyl)cinnolin-4-one
CID 62043361

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 111480501) is N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide is CC(O)CC(C)(C)CNC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is VRTLLZLDDGYSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(21)8-17(2,3)11-18-16(23)10-20-14-7-5-4-6-13(14)15(22)9-19-20/h4-7,9,12,21H,8,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 111480501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).