2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

C27H25N5O5 — CID 648736

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 648736) has the molecular formula C27H25N5O5 and a molecular weight of 499.53 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 648736
• Molecular Formula: C27H25N5O5
• Molecular Weight: 499.53 g/mol
• Exact Mass: 499.19
• IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
• SMILES: COc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccc(C)o1
• InChI: InChI=1S/C27H25N5O5/c1-18-13-14-24(37-18)26(27(34)28-16-19-8-7-15-36-19)32(22-11-5-6-12-23(22)35-2)25(33)17-31-21-10-4-3-9-20(21)29-30-31/h3-15,26H,16-17H2,1-2H3,(H,28,34)
• InChIKey: MSRRYNUKYVZIBK-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 115.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.53
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (CID 648736) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is COc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccc(C)o1.

What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is MSRRYNUKYVZIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O5/c1-18-13-14-24(37-18)26(27(34)28-16-19-8-7-15-36-19)32(22-11-5-6-12-23(22)35-2)25(33)17-31-21-10-4-3-9-20(21)29-30-31/h3-15,26H,16-17H2,1-2H3,(H,28,34).

What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 499.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 648736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).