3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide

C23H24N4O3 — CID 78881235

IUPAC3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide
SMILESNC(=O)C1(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCCCC1
InChIInChI=1S/C23H24N4O3/c24-22(30)23(13-7-2-8-14-23)25-20(28)19-17-11-5-6-12-18(17)21(29)27(26-19)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2,(H2,24,30)(H,25,28)
InChIKeyLARTYLKLJAHHSF-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.36
Rot. Bonds5

About 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide

3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide (PubChem CID 78881235) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide
PubChem CID78881235
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide
SMILESNC(=O)C1(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCCCC1
InChIInChI=1S/C23H24N4O3/c24-22(30)23(13-7-2-8-14-23)25-20(28)19-17-11-5-6-12-18(17)21(29)27(26-19)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2,(H2,24,30)(H,25,28)
InChIKeyLARTYLKLJAHHSF-UHFFFAOYSA-N
XLogP2.36
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-benzyl-N-(cycloheptylideneamino)-4-oxophthalazine-1-carboxamide
CID 4002441
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
CID 39211839
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-benzyl-N-(2,4-dioxoimidazolidin-1-yl)-4-oxophthalazine-1-carboxamide
CID 32905584
3-benzyl-4-oxo-N-(5-phenyl-2-pyridinyl)phthalazine-1-carboxamide
CID 55951930
3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
CID 43064928
N-(benzimidazol-1-yl)-3-benzyl-4-oxophthalazine-1-carboxamide
CID 34328016
3-benzyl-N-(4-carbamoyl-3-chlorophenyl)-4-oxophthalazine-1-carboxamide
CID 39170985
3-benzyl-N-(2,3-dimethylcyclohexyl)-4-oxophthalazine-1-carboxamide
CID 46539807
3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 34057571
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide (CID 78881235) is 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide is NC(=O)C1(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CCCCC1.
What is the InChIKey of 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is LARTYLKLJAHHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c24-22(30)23(13-7-2-8-14-23)25-20(28)19-17-11-5-6-12-18(17)21(29)27(26-19)15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2,(H2,24,30)(H,25,28).
What are the key properties of 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide?
3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(1-carbamoylcyclohexyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 78881235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).