N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C19H19N3O4 — CID 1458003

IUPACN-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O4/c1-12-14-6-4-5-7-15(14)19(24)22(21-12)11-18(23)20-16-10-13(25-2)8-9-17(16)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyNIYIKIVFESANIU-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.36
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 1458003) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID1458003
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O4/c1-12-14-6-4-5-7-15(14)19(24)22(21-12)11-18(23)20-16-10-13(25-2)8-9-17(16)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyNIYIKIVFESANIU-UHFFFAOYSA-N
XLogP2.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 1314910
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134053822
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 47093140
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2,5-dimethoxyphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833532
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2602915
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247653

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 1458003) is N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is NIYIKIVFESANIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-14-6-4-5-7-15(14)19(24)22(21-12)11-18(23)20-16-10-13(25-2)8-9-17(16)26-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 1458003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).