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

C34H35N3O5 — CID 68843314

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

(2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide (PubChem CID 68843314) has the molecular formula C34H35N3O5 and a molecular weight of 565.67 g/mol. Its IUPAC name is (2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide
• PubChem CID: 68843314
• Molecular Formula: C34H35N3O5
• Molecular Weight: 565.67 g/mol
• Exact Mass: 565.26
• IUPAC Name: (2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide
• SMILES: Cc1cc2cc([C@@H](C(=O)Nc3ccccc3O)N3C(=O)[C@@H](C4Cc5ccccc5C4)NC(=O)[C@H]3CC(C)C)ccc2o1
• InChI: InChI=1S/C34H35N3O5/c1-19(2)14-27-32(39)36-30(25-16-21-8-4-5-9-22(21)17-25)34(41)37(27)31(33(40)35-26-10-6-7-11-28(26)38)23-12-13-29-24(18-23)15-20(3)42-29/h4-13,15,18-19,25,27,30-31,38H,14,16-17H2,1-3H3,(H,35,40)(H,36,39)/t27-,30-,31+/m1/s1
• InChIKey: SCNOEZQSDKEJTM-UPHHSBJESA-N
• XLogP: 5.28
• TPSA: 111.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.67
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide (CID 68843314) is (2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide.

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

The canonical SMILES for (2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide is Cc1cc2cc([C@@H](C(=O)Nc3ccccc3O)N3C(=O)[C@@H](C4Cc5ccccc5C4)NC(=O)[C@H]3CC(C)C)ccc2o1.

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

The InChIKey is SCNOEZQSDKEJTM-UPHHSBJESA-N. The full InChI is InChI=1S/C34H35N3O5/c1-19(2)14-27-32(39)36-30(25-16-21-8-4-5-9-22(21)17-25)34(41)37(27)31(33(40)35-26-10-6-7-11-28(26)38)23-12-13-29-24(18-23)15-20(3)42-29/h4-13,15,18-19,25,27,30-31,38H,14,16-17H2,1-3H3,(H,35,40)(H,36,39)/t27-,30-,31+/m1/s1.

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

(2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide has a molecular weight of 565.67 g/mol, XLogP of 5.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyphenyl)-2-(2-methyl-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 68843314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).