2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide

C18H17N3O2 — CID 658951

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-12-7-9-14(10-8-12)19-17(22)11-21-18(23)16-6-4-3-5-15(16)13(2)20-21/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyMZUOHTIFZLTPBQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.65
Rot. Bonds3

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide (PubChem CID 658951) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide
PubChem CID658951
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-12-7-9-14(10-8-12)19-17(22)11-21-18(23)16-6-4-3-5-15(16)13(2)20-21/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyMZUOHTIFZLTPBQ-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11439016
Enpp-1-IN-19
CID 157040072
3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 970816
N-(4-fluorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 709340
4-Methyl-2-phenyl-2H-phthalazin-1-one
CID 245552
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
N-methyl-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 655510
4-Methyl-1-oxo-2(1H)-phthalazineacetamide
CID 658785
2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1122989
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}-2-(trifluoromethyl)benzamide
CID 23647030

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide (CID 658951) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is MZUOHTIFZLTPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-7-9-14(10-8-12)19-17(22)11-21-18(23)16-6-4-3-5-15(16)13(2)20-21/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 658951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).