N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C23H19N3O3 — CID 2416624

IUPACN-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H19N3O3/c1-29-18-13-11-17(12-14-18)24-21(27)15-26-23(28)20-10-6-5-9-19(20)22(25-26)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,27)
InChIKeyJTZOADLVCYBNTO-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.71
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 2416624) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID2416624
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H19N3O3/c1-29-18-13-11-17(12-14-18)24-21(27)15-26-23(28)20-10-6-5-9-19(20)22(25-26)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,27)
InChIKeyJTZOADLVCYBNTO-UHFFFAOYSA-N
XLogP3.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 2416624) is N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is COc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is JTZOADLVCYBNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-18-13-11-17(12-14-18)24-21(27)15-26-23(28)20-10-6-5-9-19(20)22(25-26)16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 2416624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).