(2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide

C26H25N5O5 — CID 1152459

About (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide

(2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide (PubChem CID 1152459) has the molecular formula C26H25N5O5 and a molecular weight of 487.52 g/mol. Its IUPAC name is (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide
• PubChem CID: 1152459
• Molecular Formula: C26H25N5O5
• Molecular Weight: 487.52 g/mol
• Exact Mass: 487.19
• IUPAC Name: (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide
• SMILES: O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C26H25N5O5/c32-24(15-30-20-9-4-3-8-19(20)28-29-30)31(18-11-12-21-23(14-18)36-16-35-21)25(22-10-5-13-34-22)26(33)27-17-6-1-2-7-17/h3-5,8-14,17,25H,1-2,6-7,15-16H2,(H,27,33)/t25-/m1/s1
• InChIKey: HENSGGXSVOKLEW-RUZDIDTESA-N
• XLogP: 3.59
• TPSA: 111.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.52
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide?

The IUPAC name of (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide (CID 1152459) is (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide.

What is the SMILES notation for (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide?

The canonical SMILES for (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide is O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2.

What is the InChIKey of (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide?

The InChIKey is HENSGGXSVOKLEW-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25N5O5/c32-24(15-30-20-9-4-3-8-19(20)28-29-30)31(18-11-12-21-23(14-18)36-16-35-21)25(22-10-5-13-34-22)26(33)27-17-6-1-2-7-17/h3-5,8-14,17,25H,1-2,6-7,15-16H2,(H,27,33)/t25-/m1/s1.

What are the key properties of (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide?

(2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide has a molecular weight of 487.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[1,3-benzodioxol-5-yl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(furan-2-yl)acetamide is sourced from PubChem (CID 1152459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).