N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide

C24H25N3O2 — CID 23608927

IUPACN-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1
InChIInChI=1S/C24H25N3O2/c1-2-17-12-14-19(15-13-17)25-22(28)16-27-24(29)21-11-7-6-10-20(21)23(26-27)18-8-4-3-5-9-18/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3,(H,25,28)
InChIKeyHDUHBCYECBBJTR-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.99
Rot. Bonds5

About N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide

N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide (PubChem CID 23608927) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide
PubChem CID23608927
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1
InChIInChI=1S/C24H25N3O2/c1-2-17-12-14-19(15-13-17)25-22(28)16-27-24(29)21-11-7-6-10-20(21)23(26-27)18-8-4-3-5-9-18/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3,(H,25,28)
InChIKeyHDUHBCYECBBJTR-UHFFFAOYSA-N
XLogP3.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide (CID 23608927) is N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide is CCc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide?
The InChIKey is HDUHBCYECBBJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-2-17-12-14-19(15-13-17)25-22(28)16-27-24(29)21-11-7-6-10-20(21)23(26-27)18-8-4-3-5-9-18/h3-5,8-9,12-15H,2,6-7,10-11,16H2,1H3,(H,25,28).
What are the key properties of N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide?
N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide is sourced from PubChem (CID 23608927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).