3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide

C30H26N2O4 — CID 108765399

About 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide

3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide (PubChem CID 108765399) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide.

Molecular Properties

• Compound Name: 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide
• PubChem CID: 108765399
• Molecular Formula: C30H26N2O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.19
• IUPAC Name: 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide
• SMILES: CC1(C)CC(=O)c2cc(NC(=O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)ccc2O1
• InChI: InChI=1S/C30H26N2O4/c1-30(2)16-26(33)24-15-21(11-13-28(24)36-30)31-29(34)20-7-5-8-22(14-20)32-17-25-23-9-4-3-6-19(23)10-12-27(25)35-18-32/h3-15H,16-18H2,1-2H3,(H,31,34)
• InChIKey: YODIPSYJCSQFJG-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide?

The IUPAC name of 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide (CID 108765399) is 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide.

What is the SMILES notation for 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide?

The canonical SMILES for 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide is CC1(C)CC(=O)c2cc(NC(=O)c3cccc(N4COc5ccc6ccccc6c5C4)c3)ccc2O1.

What is the InChIKey of 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide?

The InChIKey is YODIPSYJCSQFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-30(2)16-26(33)24-15-21(11-13-28(24)36-30)31-29(34)20-7-5-8-22(14-20)32-17-25-23-9-4-3-6-19(23)10-12-27(25)35-18-32/h3-15H,16-18H2,1-2H3,(H,31,34).

What are the key properties of 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide?

3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide has a molecular weight of 478.55 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)benzamide is sourced from PubChem (CID 108765399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).