4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C22H27N3O5 — CID 24643761

About 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 24643761) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 24643761
• Molecular Formula: C22H27N3O5
• Molecular Weight: 413.47 g/mol
• Exact Mass: 413.20
• IUPAC Name: 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: CC(=O)N1CC(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)Oc2ccccc21
• InChI: InChI=1S/C22H27N3O5/c1-15-7-8-20(29-15)18(24-9-11-28-12-10-24)13-23-22(27)21-14-25(16(2)26)17-5-3-4-6-19(17)30-21/h3-8,18,21H,9-14H2,1-2H3,(H,23,27)
• InChIKey: WMQPAIZJKLDYFL-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.47
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 24643761) is 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(=O)N1CC(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)Oc2ccccc21.

What is the InChIKey of 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is WMQPAIZJKLDYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-15-7-8-20(29-15)18(24-9-11-28-12-10-24)13-23-22(27)21-14-25(16(2)26)17-5-3-4-6-19(17)30-21/h3-8,18,21H,9-14H2,1-2H3,(H,23,27).

What are the key properties of 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 24643761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).