2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide

C28H25N5O4 — CID 649868

About 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 649868) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 649868
• Molecular Formula: C28H25N5O4
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.19
• IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
• SMILES: O=C(NCc1ccco1)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C28H25N5O4/c34-26(18-32-24-10-2-1-9-23(24)30-31-32)33(21-13-12-19-6-3-7-20(19)16-21)27(25-11-5-15-37-25)28(35)29-17-22-8-4-14-36-22/h1-2,4-5,8-16,27H,3,6-7,17-18H2,(H,29,35)
• InChIKey: OUEAJVVCCBBKMS-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 106.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide (CID 649868) is 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide is O=C(NCc1ccco1)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2.

What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?

The InChIKey is OUEAJVVCCBBKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4/c34-26(18-32-24-10-2-1-9-23(24)30-31-32)33(21-13-12-19-6-3-7-20(19)16-21)27(25-11-5-15-37-25)28(35)29-17-22-8-4-14-36-22/h1-2,4-5,8-16,27H,3,6-7,17-18H2,(H,29,35).

What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide?

2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 495.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1H-inden-5-yl)amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 649868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).