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

C13H15N3O2 — CID 599759

IUPACN,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N(C)C)c(=O)c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-9-10-6-4-5-7-11(10)13(18)16(14-9)8-12(17)15(2)3/h4-7H,8H2,1-3H3
InChIKeyRFJWGQMDFDQIJJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.79
Rot. Bonds2

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

N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 599759) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID599759
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)N(C)C)c(=O)c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-9-10-6-4-5-7-11(10)13(18)16(14-9)8-12(17)15(2)3/h4-7H,8H2,1-3H3
InChIKeyRFJWGQMDFDQIJJ-UHFFFAOYSA-N
XLogP0.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 599759) is N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)N(C)C)c(=O)c2ccccc12.
What is the InChIKey of N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is RFJWGQMDFDQIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-10-6-4-5-7-11(10)13(18)16(14-9)8-12(17)15(2)3/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 599759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).