3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide

C20H20N4O3 — CID 42908214

IUPAC3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
SMILESCC(CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C20H20N4O3/c1-13(14-8-4-3-5-9-14)12-17(25)21-22-19(26)18-15-10-6-7-11-16(15)20(27)24(2)23-18/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyDAVRSXWNXYPCPB-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.89
Rot. Bonds4

About 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide

3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide (PubChem CID 42908214) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
PubChem CID42908214
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
SMILESCC(CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C20H20N4O3/c1-13(14-8-4-3-5-9-14)12-17(25)21-22-19(26)18-15-10-6-7-11-16(15)20(27)24(2)23-18/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyDAVRSXWNXYPCPB-UHFFFAOYSA-N
XLogP1.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 51195423
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 51552973
3-methyl-4-oxo-N-[(1R)-1-(4-phenylphenyl)ethyl]phthalazine-1-carboxamide
CID 7948827
3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
CID 60520729
3-methyl-N-[(2S)-6-methylheptan-2-yl]-4-oxophthalazine-1-carboxamide
CID 2644365
3-methyl-N-(6-methylheptan-2-yl)-4-oxophthalazine-1-carboxamide
CID 18777449
N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2670711
3-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-4-oxophthalazine-1-carbohydrazide
CID 4805664
3-methyl-N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7927312

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide?
The IUPAC name of 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide (CID 42908214) is 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide is CC(CC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide?
The InChIKey is DAVRSXWNXYPCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(14-8-4-3-5-9-14)12-17(25)21-22-19(26)18-15-10-6-7-11-16(15)20(27)24(2)23-18/h3-11,13H,12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide?
3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide has a molecular weight of 364.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 42908214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).