(2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

C32H36N2O4 — CID 15954106

About (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

(2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (PubChem CID 15954106) has the molecular formula C32H36N2O4 and a molecular weight of 512.65 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide.

Molecular Properties

• Compound Name: (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
• PubChem CID: 15954106
• Molecular Formula: C32H36N2O4
• Molecular Weight: 512.65 g/mol
• Exact Mass: 512.27
• IUPAC Name: (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
• SMILES: O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)CC[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C32H36N2O4/c35-27(21-34-26(15-16-30(34)37)18-23-11-5-2-6-12-23)19-25(17-22-9-3-1-4-10-22)32(38)33-31-28-14-8-7-13-24(28)20-29(31)36/h1-14,25-27,29,31,35-36H,15-21H2,(H,33,38)/t25-,26-,27+,29-,31+/m1/s1
• InChIKey: VFXWXTTYUYUQCX-ZSVDEAFPSA-N
• XLogP: 3.60
• TPSA: 89.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.65
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?

The IUPAC name of (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (CID 15954106) is (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide.

What is the SMILES notation for (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?

The canonical SMILES for (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)CC[C@@H]1Cc1ccccc1.

What is the InChIKey of (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?

The InChIKey is VFXWXTTYUYUQCX-ZSVDEAFPSA-N. The full InChI is InChI=1S/C32H36N2O4/c35-27(21-34-26(15-16-30(34)37)18-23-11-5-2-6-12-23)19-25(17-22-9-3-1-4-10-22)32(38)33-31-28-14-8-7-13-24(28)20-29(31)36/h1-14,25-27,29,31,35-36H,15-21H2,(H,33,38)/t25-,26-,27+,29-,31+/m1/s1.

What are the key properties of (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?

(2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide has a molecular weight of 512.65 g/mol, XLogP of 3.60, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-2-benzyl-5-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is sourced from PubChem (CID 15954106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).