N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C19H19N3O2 — CID 2664740

IUPACN-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)22-19(24)16-7-5-4-6-15(16)17(21-22)18(23)20-14-10-8-13(3)9-11-14/h4-12H,1-3H3,(H,20,23)
InChIKeyMKAPSONGHBBGIJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.54
Rot. Bonds3

About N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 2664740) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID2664740
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)22-19(24)16-7-5-4-6-15(16)17(21-22)18(23)20-14-10-8-13(3)9-11-14/h4-12H,1-3H3,(H,20,23)
InChIKeyMKAPSONGHBBGIJ-UHFFFAOYSA-N
XLogP3.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide 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

4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46421233
N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78794453
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 51187330
N-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78811230
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78802659
N'-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55616857
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446
N-(3-benzyl-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55446782
2-(4-methylphenyl)-N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 27566548

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 2664740) is N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is MKAPSONGHBBGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)22-19(24)16-7-5-4-6-15(16)17(21-22)18(23)20-14-10-8-13(3)9-11-14/h4-12H,1-3H3,(H,20,23).
What are the key properties of N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 2664740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).