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

C24H25N3O2 — CID 69044242

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

N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide (PubChem CID 69044242) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide
• PubChem CID: 69044242
• Molecular Formula: C24H25N3O2
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.19
• IUPAC Name: N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide
• SMILES: O=C(CCc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
• InChI: InChI=1S/C24H25N3O2/c28-23(14-13-17-7-2-1-3-8-17)25-19-10-6-9-18(15-19)16-22-20-11-4-5-12-21(20)24(29)27-26-22/h1-3,6-10,15H,4-5,11-14,16H2,(H,25,28)(H,27,29)
• InChIKey: ZXVWCPFKZAMRMH-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide (CID 69044242) is N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide.

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

The canonical SMILES for N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1.

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

The InChIKey is ZXVWCPFKZAMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-23(14-13-17-7-2-1-3-8-17)25-19-10-6-9-18(15-19)16-22-20-11-4-5-12-21(20)24(29)27-26-22/h1-3,6-10,15H,4-5,11-14,16H2,(H,25,28)(H,27,29).

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

N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide has a molecular weight of 387.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 69044242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).