N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide

C27H29N3O3 — CID 23608913

About N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide

N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide (PubChem CID 23608913) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
• PubChem CID: 23608913
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
• SMILES: CC(=O)c1ccc(NC(=O)C(C)n2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1
• InChI: InChI=1S/C27H29N3O3/c1-16-9-10-17(2)24(15-16)25-22-7-5-6-8-23(22)27(33)30(29-25)18(3)26(32)28-21-13-11-20(12-14-21)19(4)31/h9-15,18H,5-8H2,1-4H3,(H,28,32)
• InChIKey: MHRSGOPMUKYFBN-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?

The IUPAC name of N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide (CID 23608913) is N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide.

What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?

The canonical SMILES for N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide is CC(=O)c1ccc(NC(=O)C(C)n2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1.

What is the InChIKey of N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?

The InChIKey is MHRSGOPMUKYFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-16-9-10-17(2)24(15-16)25-22-7-5-6-8-23(22)27(33)30(29-25)18(3)26(32)28-21-13-11-20(12-14-21)19(4)31/h9-15,18H,5-8H2,1-4H3,(H,28,32).

What are the key properties of N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide?

N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide has a molecular weight of 443.55 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-2-[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide is sourced from PubChem (CID 23608913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).