N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C19H19N3O4 — CID 3238487

IUPACN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1
InChIInChI=1S/C19H19N3O4/c1-22-19(24)16-7-5-4-6-15(16)17(21-22)11-18(23)20-12-8-13(25-2)10-14(9-12)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyJQIXSULXWUTLDQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.13
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 3238487) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID3238487
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1
InChIInChI=1S/C19H19N3O4/c1-22-19(24)16-7-5-4-6-15(16)17(21-22)11-18(23)20-12-8-13(25-2)10-14(9-12)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyJQIXSULXWUTLDQ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
N-(4-chloro-3-methoxy-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552169
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)acetamide
CID 758934
6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5-dimethoxy-phenyl)-amide
CID 11450922
N-(2,6-Dimethoxy-phenyl)-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 1458010
N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 2079617
[2-(3-Methoxyanilino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2403876
3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxophthalazine-1-carboxamide
CID 2623480
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2623482

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 3238487) is N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is COc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is JQIXSULXWUTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22-19(24)16-7-5-4-6-15(16)17(21-22)11-18(23)20-12-8-13(25-2)10-14(9-12)26-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 3238487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).