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

C18H21N3O3 — CID 10193372

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

4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide (PubChem CID 10193372) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide.

Molecular Properties

• Compound Name: 4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide
• PubChem CID: 10193372
• Molecular Formula: C18H21N3O3
• Molecular Weight: 327.38 g/mol
• Exact Mass: 327.16
• IUPAC Name: 4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide
• SMILES: O=C(CCCO)Nc1cccc(-c2n[nH]c(=O)c3c2CCCC3)c1
• InChI: InChI=1S/C18H21N3O3/c22-10-4-9-16(23)19-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)18(24)21-20-17/h3,5-6,11,22H,1-2,4,7-10H2,(H,19,23)(H,21,24)
• InChIKey: JJUJQYCEPIEBHE-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 95.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.38
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide (CID 10193372) is 4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide.

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

The canonical SMILES for 4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide is O=C(CCCO)Nc1cccc(-c2n[nH]c(=O)c3c2CCCC3)c1.

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

The InChIKey is JJUJQYCEPIEBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-10-4-9-16(23)19-13-6-3-5-12(11-13)17-14-7-1-2-8-15(14)18(24)21-20-17/h3,5-6,11,22H,1-2,4,7-10H2,(H,19,23)(H,21,24).

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

4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide has a molecular weight of 327.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]butanamide is sourced from PubChem (CID 10193372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).