N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide

C32H22N4O6 — CID 1381906

About N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide

N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide (PubChem CID 1381906) has the molecular formula C32H22N4O6 and a molecular weight of 558.55 g/mol. Its IUPAC name is N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide
• PubChem CID: 1381906
• Molecular Formula: C32H22N4O6
• Molecular Weight: 558.55 g/mol
• Exact Mass: 558.15
• IUPAC Name: N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(NC(C)=O)cc6)oc(=O)c5c4)cc3c(=O)o2)cc1
• InChI: InChI=1S/C32H22N4O6/c1-17(37)33-23-9-3-19(4-10-23)29-35-27-13-7-21(15-25(27)31(39)41-29)22-8-14-28-26(16-22)32(40)42-30(36-28)20-5-11-24(12-6-20)34-18(2)38/h3-16H,1-2H3,(H,33,37)(H,34,38)
• InChIKey: OANLIRSUDYKXGS-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 144.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.55
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide?

The IUPAC name of N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide (CID 1381906) is N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(NC(C)=O)cc6)oc(=O)c5c4)cc3c(=O)o2)cc1.

What is the InChIKey of N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide?

The InChIKey is OANLIRSUDYKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4O6/c1-17(37)33-23-9-3-19(4-10-23)29-35-27-13-7-21(15-25(27)31(39)41-29)22-8-14-28-26(16-22)32(40)42-30(36-28)20-5-11-24(12-6-20)34-18(2)38/h3-16H,1-2H3,(H,33,37)(H,34,38).

What are the key properties of N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide?

N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide has a molecular weight of 558.55 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 1381906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).