(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide

C24H25N5O3 — CID 1465835

About (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide

(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide (PubChem CID 1465835) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
• PubChem CID: 1465835
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
• SMILES: CC(C)N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccccc1
• InChI: InChI=1S/C24H25N5O3/c1-17(2)29(22(30)16-28-21-13-7-6-12-20(21)26-27-28)23(18-9-4-3-5-10-18)24(31)25-15-19-11-8-14-32-19/h3-14,17,23H,15-16H2,1-2H3,(H,25,31)/t23-/m1/s1
• InChIKey: MOCVSFOEFLEOEP-HSZRJFAPSA-N
• XLogP: 3.32
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?

The IUPAC name of (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide (CID 1465835) is (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?

The canonical SMILES for (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide is CC(C)N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccccc1.

What is the InChIKey of (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?

The InChIKey is MOCVSFOEFLEOEP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17(2)29(22(30)16-28-21-13-7-6-12-20(21)26-27-28)23(18-9-4-3-5-10-18)24(31)25-15-19-11-8-14-32-19/h3-14,17,23H,15-16H2,1-2H3,(H,25,31)/t23-/m1/s1.

What are the key properties of (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide?

(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 431.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 1465835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).