N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

C21H28N4O3 — CID 7979954

IUPACN'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)CCCC2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C21H28N4O3/c1-2-25-21(28)17-13-7-6-12-16(17)19(24-25)20(27)23-22-18(26)14-8-11-15-9-4-3-5-10-15/h6-7,12-13,15H,2-5,8-11,14H2,1H3,(H,22,26)(H,23,27)
InChIKeyWSBZUHDEHNTZKY-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.93
Rot. Bonds6

About N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 7979954) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
PubChem CID7979954
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)CCCC2CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C21H28N4O3/c1-2-25-21(28)17-13-7-6-12-16(17)19(24-25)20(27)23-22-18(26)14-8-11-15-9-4-3-5-10-15/h6-7,12-13,15H,2-5,8-11,14H2,1H3,(H,22,26)(H,23,27)
InChIKeyWSBZUHDEHNTZKY-UHFFFAOYSA-N
XLogP2.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.93
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-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
CID 7979969
N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874862
N'-(3-cyclopentylpropanoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9219996
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
3-ethyl-4-oxo-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]phthalazine-1-carbohydrazide
CID 35767282
N-[4-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27563932
3-ethyl-N'-(1-methylsulfonylpiperidine-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 16580980
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27450251
3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
CID 24532217
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4822586
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide (CID 7979954) is N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)CCCC2CCCCC2)c2ccccc2c1=O.
What is the InChIKey of N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is WSBZUHDEHNTZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-2-25-21(28)17-13-7-6-12-16(17)19(24-25)20(27)23-22-18(26)14-8-11-15-9-4-3-5-10-15/h6-7,12-13,15H,2-5,8-11,14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 384.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 7979954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).