3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide

C22H24N4O3 — CID 7995124

IUPAC3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCCCCn1nc(C(=O)NNC(=O)c2ccc(CC)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-3-5-14-26-22(29)18-9-7-6-8-17(18)19(25-26)21(28)24-23-20(27)16-12-10-15(4-2)11-13-16/h6-13H,3-5,14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWJXWDZPRGONWHC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.83
Rot. Bonds6

About 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide

3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 7995124) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID7995124
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCCCCn1nc(C(=O)NNC(=O)c2ccc(CC)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-3-5-14-26-22(29)18-9-7-6-8-17(18)19(25-26)21(28)24-23-20(27)16-12-10-15(4-2)11-13-16/h6-13H,3-5,14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWJXWDZPRGONWHC-UHFFFAOYSA-N
XLogP2.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-butyl-N'-(4-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2532386
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
4-oxo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-3-pentylphthalazine-1-carbohydrazide
CID 32755900
3-butyl-N'-(3-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2513605
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]furan-2-carboxamide
CID 27679094
3-butyl-N'-(1H-indazole-3-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 40672341
1-[(4-methylphenyl)methyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea
CID 25493215
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 16543603
3-butyl-4-oxo-N-pentan-3-ylphthalazine-1-carboxamide
CID 2107725

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide (CID 7995124) is 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide is CCCCn1nc(C(=O)NNC(=O)c2ccc(CC)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is WJXWDZPRGONWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-5-14-26-22(29)18-9-7-6-8-17(18)19(25-26)21(28)24-23-20(27)16-12-10-15(4-2)11-13-16/h6-13H,3-5,14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide?
3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 392.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 7995124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).