N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

C21H22N4O3 — CID 27566475

IUPACN'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCc1ccccc1CC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C21H22N4O3/c1-13(2)25-21(28)17-11-7-6-10-16(17)19(24-25)20(27)23-22-18(26)12-15-9-5-4-8-14(15)3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyIGBWTOPFFDIXCX-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.29
Rot. Bonds4

About N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (PubChem CID 27566475) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
PubChem CID27566475
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCc1ccccc1CC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C21H22N4O3/c1-13(2)25-21(28)17-11-7-6-10-16(17)19(24-25)20(27)23-22-18(26)12-15-9-5-4-8-14(15)3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyIGBWTOPFFDIXCX-UHFFFAOYSA-N
XLogP2.29
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.29
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

N'-(2,3-dimethylbenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55341302
N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874862
N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
CID 42888349
4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide
CID 55882502
N'-[4-(methylsulfanylmethyl)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 35767608
4-oxo-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566522
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 71914401
1-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]-3-prop-2-enylthiourea
CID 8747100
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
N-methyl-4-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]benzenesulfonamide
CID 27566478

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The IUPAC name of N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (CID 27566475) is N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is Cc1ccccc1CC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12.
What is the InChIKey of N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The InChIKey is IGBWTOPFFDIXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13(2)25-21(28)17-11-7-6-10-16(17)19(24-25)20(27)23-22-18(26)12-15-9-5-4-8-14(15)3/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide has a molecular weight of 378.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is sourced from PubChem (CID 27566475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).