N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide

C22H26N4O5 — CID 26668656

About N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide (PubChem CID 26668656) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
• PubChem CID: 26668656
• Molecular Formula: C22H26N4O5
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.19
• IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
• SMILES: O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)NCc1ccco1
• InChI: InChI=1S/C22H26N4O5/c27-20(24-22(29)23-13-16-7-6-12-30-16)15-26-14-19(21(28)25-10-4-1-5-11-25)31-18-9-3-2-8-17(18)26/h2-3,6-9,12,19H,1,4-5,10-11,13-15H2,(H2,23,24,27,29)/t19-/m1/s1
• InChIKey: OBFVVLUHMRUYAC-LJQANCHMSA-N
• XLogP: 1.89
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?

The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide (CID 26668656) is N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide.

What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?

The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide is O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)NC(=O)NCc1ccco1.

What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?

The InChIKey is OBFVVLUHMRUYAC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O5/c27-20(24-22(29)23-13-16-7-6-12-30-16)15-26-14-19(21(28)25-10-4-1-5-11-25)31-18-9-3-2-8-17(18)26/h2-3,6-9,12,19H,1,4-5,10-11,13-15H2,(H2,23,24,27,29)/t19-/m1/s1.

What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?

N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 426.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 26668656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).