1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea

C22H24N6O4 — CID 27552401

IUPAC1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
SMILESCCCn1nc(C(=O)NNC(=O)CNC(=O)NCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N6O4/c1-2-12-28-21(31)17-11-7-6-10-16(17)19(27-28)20(30)26-25-18(29)14-24-22(32)23-13-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,25,29)(H,26,30)(H2,23,24,32)
InChIKeyCBQILZZCWCRZLO-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.07
Rot. Bonds7

About 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea

1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea (PubChem CID 27552401) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
PubChem CID27552401
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
SMILESCCCn1nc(C(=O)NNC(=O)CNC(=O)NCc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C22H24N6O4/c1-2-12-28-21(31)17-11-7-6-10-16(17)19(27-28)20(30)26-25-18(29)14-24-22(32)23-13-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,25,29)(H,26,30)(H2,23,24,32)
InChIKeyCBQILZZCWCRZLO-UHFFFAOYSA-N
XLogP1.07
TPSA134.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea
CID 25493215
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 27551732
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 27551825
4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
N'-[(3R)-1-benzyl-3-hydroxypyrrolidine-3-carbonyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 95769128
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
benzyl 2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]acetate
CID 55350443
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea (CID 27552401) is 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea is CCCn1nc(C(=O)NNC(=O)CNC(=O)NCc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea?
The InChIKey is CBQILZZCWCRZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-2-12-28-21(31)17-11-7-6-10-16(17)19(27-28)20(30)26-25-18(29)14-24-22(32)23-13-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,25,29)(H,26,30)(H2,23,24,32).
What are the key properties of 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea?
1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea has a molecular weight of 436.47 g/mol, XLogP of 1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea is sourced from PubChem (CID 27552401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).