(2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide

C31H37N3O4 — CID 68847019

About (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide

(2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide (PubChem CID 68847019) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
• PubChem CID: 68847019
• Molecular Formula: C31H37N3O4
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.28
• IUPAC Name: (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
• SMILES: CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1cc2ccccc2o1
• InChI: InChI=1S/C31H37N3O4/c1-18(2)14-23-28(35)32-26(22-15-19-10-6-7-11-20(19)16-22)30(37)34(23)27(29(36)33-31(3,4)5)25-17-21-12-8-9-13-24(21)38-25/h6-13,17-18,22-23,26-27H,14-16H2,1-5H3,(H,32,35)(H,33,36)/t23-,26-,27-/m1/s1
• InChIKey: QQCBSLPTCLIDRJ-XSBVVTFOSA-N
• XLogP: 4.55
• TPSA: 91.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide?

The IUPAC name of (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide (CID 68847019) is (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide.

What is the SMILES notation for (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide?

The canonical SMILES for (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1cc2ccccc2o1.

What is the InChIKey of (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide?

The InChIKey is QQCBSLPTCLIDRJ-XSBVVTFOSA-N. The full InChI is InChI=1S/C31H37N3O4/c1-18(2)14-23-28(35)32-26(22-15-19-10-6-7-11-20(19)16-22)30(37)34(23)27(29(36)33-31(3,4)5)25-17-21-12-8-9-13-24(21)38-25/h6-13,17-18,22-23,26-27H,14-16H2,1-5H3,(H,32,35)(H,33,36)/t23-,26-,27-/m1/s1.

What are the key properties of (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide?

(2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide has a molecular weight of 515.65 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1-benzofuran-2-yl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 68847019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).