N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C19H19N3O4 — CID 1458010

IUPACN-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1cccc(OC)c1NC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C19H19N3O4/c1-12-13-7-4-5-8-14(13)19(24)22(21-12)11-17(23)20-18-15(25-2)9-6-10-16(18)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyMSVYCDAHNLQAAI-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.36
Rot. Bonds5

About N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 1458010) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID1458010
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1cccc(OC)c1NC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C19H19N3O4/c1-12-13-7-4-5-8-14(13)19(24)22(21-12)11-17(23)20-18-15(25-2)9-6-10-16(18)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyMSVYCDAHNLQAAI-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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 1458010) is N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is COc1cccc(OC)c1NC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is MSVYCDAHNLQAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-13-7-4-5-8-14(13)19(24)22(21-12)11-17(23)20-18-15(25-2)9-6-10-16(18)26-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(2,6-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-(2,6-dimethoxyphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 1458010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).