2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

C27H25N5O4 — CID 655698

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 655698) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 655698
• Molecular Formula: C27H25N5O4
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.19
• IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
• SMILES: Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1
• InChI: InChI=1S/C27H25N5O4/c1-18-9-12-20(13-10-18)32(25(33)17-31-23-8-4-3-7-22(23)29-30-31)26(24-14-11-19(2)36-24)27(34)28-16-21-6-5-15-35-21/h3-15,26H,16-17H2,1-2H3,(H,28,34)
• InChIKey: CCRKWSWPLIWADA-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 106.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide (CID 655698) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1.

What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is CCRKWSWPLIWADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-18-9-12-20(13-10-18)32(25(33)17-31-23-8-4-3-7-22(23)29-30-31)26(24-14-11-19(2)36-24)27(34)28-16-21-6-5-15-35-21/h3-15,26H,16-17H2,1-2H3,(H,28,34).

What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide?

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 483.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 655698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).