N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide

C26H24N4O3 — CID 55341225

IUPACN'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2ccccc2Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C26H24N4O3/c1-2-16-30-26(33)22-15-9-8-14-21(22)23(29-30)25(32)28-27-24(31)20-13-7-6-12-19(20)17-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeySUUYMTGSNMQGMW-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.47
Rot. Bonds6

About N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 55341225) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID55341225
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2ccccc2Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C26H24N4O3/c1-2-16-30-26(33)22-15-9-8-14-21(22)23(29-30)25(32)28-27-24(31)20-13-7-6-12-19(20)17-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,27,31)(H,28,32)
InChIKeySUUYMTGSNMQGMW-UHFFFAOYSA-N
XLogP3.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.47
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

1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
CID 27552401
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889959
N-(2-ethyl-6-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 5036813
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-[2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26876179
4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 27551732
N'-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 32659663
2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 55341289
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 55341225) is N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)c2ccccc2Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is SUUYMTGSNMQGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-2-16-30-26(33)22-15-9-8-14-21(22)23(29-30)25(32)28-27-24(31)20-13-7-6-12-19(20)17-18-10-4-3-5-11-18/h3-15H,2,16-17H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 440.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 55341225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).