N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide

C19H19N3O2 — CID 752685

IUPACN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
InChIInChI=1S/C19H19N3O2/c1-12-8-9-14(10-15(12)11-20-13(2)23)18-16-6-4-5-7-17(16)19(24)22(3)21-18/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyVZFPBAVODODGBG-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.55
Rot. Bonds3

About N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide

N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide (PubChem CID 752685) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide
PubChem CID752685
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
InChIInChI=1S/C19H19N3O2/c1-12-8-9-14(10-15(12)11-20-13(2)23)18-16-6-4-5-7-17(16)19(24)22(3)21-18/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyVZFPBAVODODGBG-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide (CID 752685) is N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide is CC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C.
What is the InChIKey of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide?
The InChIKey is VZFPBAVODODGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-8-9-14(10-15(12)11-20-13(2)23)18-16-6-4-5-7-17(16)19(24)22(3)21-18/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide?
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 752685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).