N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide

C30H26N2O4 — CID 73048640

About N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide

N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide (PubChem CID 73048640) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide
• PubChem CID: 73048640
• Molecular Formula: C30H26N2O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.19
• IUPAC Name: N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide
• SMILES: O=C(NO)c1ccc(C=C(CCOc2cccc3ccccc23)CN2C(=O)Cc3ccccc32)cc1
• InChI: InChI=1S/C30H26N2O4/c33-29-19-25-7-2-4-10-27(25)32(29)20-22(18-21-12-14-24(15-13-21)30(34)31-35)16-17-36-28-11-5-8-23-6-1-3-9-26(23)28/h1-15,18,35H,16-17,19-20H2,(H,31,34)
• InChIKey: BOIBRPOMXLUHKS-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide?

The IUPAC name of N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide (CID 73048640) is N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide.

What is the SMILES notation for N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide?

The canonical SMILES for N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide is O=C(NO)c1ccc(C=C(CCOc2cccc3ccccc23)CN2C(=O)Cc3ccccc32)cc1.

What is the InChIKey of N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide?

The InChIKey is BOIBRPOMXLUHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c33-29-19-25-7-2-4-10-27(25)32(29)20-22(18-21-12-14-24(15-13-21)30(34)31-35)16-17-36-28-11-5-8-23-6-1-3-9-26(23)28/h1-15,18,35H,16-17,19-20H2,(H,31,34).

What are the key properties of N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide?

N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide has a molecular weight of 478.55 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-naphthalen-1-yloxy-2-[(2-oxo-3H-indol-1-yl)methyl]but-1-enyl]benzamide is sourced from PubChem (CID 73048640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).