(2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C24H26N2O4 — CID 9101058

About (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 9101058) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 9101058
• Molecular Formula: C24H26N2O4
• Molecular Weight: 406.48 g/mol
• Exact Mass: 406.19
• IUPAC Name: (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: CCCNC(=O)[C@H]1CN(C(=O)Cc2coc3cc(CC)ccc23)c2ccccc2O1
• InChI: InChI=1S/C24H26N2O4/c1-3-11-25-24(28)22-14-26(19-7-5-6-8-20(19)30-22)23(27)13-17-15-29-21-12-16(4-2)9-10-18(17)21/h5-10,12,15,22H,3-4,11,13-14H2,1-2H3,(H,25,28)/t22-/m1/s1
• InChIKey: IJXCTUBUTHJSJI-JOCHJYFZSA-N
• XLogP: 3.86
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.48
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 9101058) is (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CCCNC(=O)[C@H]1CN(C(=O)Cc2coc3cc(CC)ccc23)c2ccccc2O1.

What is the InChIKey of (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is IJXCTUBUTHJSJI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-11-25-24(28)22-14-26(19-7-5-6-8-20(19)30-22)23(27)13-17-15-29-21-12-16(4-2)9-10-18(17)21/h5-10,12,15,22H,3-4,11,13-14H2,1-2H3,(H,25,28)/t22-/m1/s1.

What are the key properties of (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

(2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-4-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 9101058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).