N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C19H19N3O2 — CID 706208

IUPACN-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1C
InChIInChI=1S/C19H19N3O2/c1-12-8-9-14(10-13(12)2)20-18(23)11-17-15-6-4-5-7-16(15)19(24)22(3)21-17/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeySDVMEJTZXHSEQO-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.73
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 706208) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID706208
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1C
InChIInChI=1S/C19H19N3O2/c1-12-8-9-14(10-13(12)2)20-18(23)11-17-15-6-4-5-7-16(15)19(24)22(3)21-17/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeySDVMEJTZXHSEQO-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 706208) is N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is SDVMEJTZXHSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-8-9-14(10-13(12)2)20-18(23)11-17-15-6-4-5-7-16(15)19(24)22(3)21-17/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 706208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).