N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide

C24H25N3O2 — CID 69090702

About N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide

N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide (PubChem CID 69090702) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide
• PubChem CID: 69090702
• Molecular Formula: C24H25N3O2
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.19
• IUPAC Name: N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(-c2cccc(C(C)c3n[nH]c(=O)c4c3CCCC4)c2)c1
• InChI: InChI=1S/C24H25N3O2/c1-15(23-21-11-3-4-12-22(21)24(29)27-26-23)17-7-5-8-18(13-17)19-9-6-10-20(14-19)25-16(2)28/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,25,28)(H,27,29)
• InChIKey: WFKMVGZQOHTJQX-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide?

The IUPAC name of N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide (CID 69090702) is N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide.

What is the SMILES notation for N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide?

The canonical SMILES for N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cccc(C(C)c3n[nH]c(=O)c4c3CCCC4)c2)c1.

What is the InChIKey of N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide?

The InChIKey is WFKMVGZQOHTJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15(23-21-11-3-4-12-22(21)24(29)27-26-23)17-7-5-8-18(13-17)19-9-6-10-20(14-19)25-16(2)28/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,25,28)(H,27,29).

What are the key properties of N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide?

N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[1-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)ethyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 69090702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).