(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

C36H42N2O5 — CID 5494864

About (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide

(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (PubChem CID 5494864) has the molecular formula C36H42N2O5 and a molecular weight of 582.74 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-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-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
• PubChem CID: 5494864
• Molecular Formula: C36H42N2O5
• Molecular Weight: 582.74 g/mol
• Exact Mass: 582.31
• IUPAC Name: (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-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)C2(CCOCC2)C[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C36H42N2O5/c39-30(24-38-29(20-26-11-5-2-6-12-26)23-36(35(38)42)15-17-43-18-16-36)21-28(19-25-9-3-1-4-10-25)34(41)37-33-31-14-8-7-13-27(31)22-32(33)40/h1-14,28-30,32-33,39-40H,15-24H2,(H,37,41)/t28-,29+,30+,32-,33+/m1/s1
• InChIKey: SFZSFNOTTPWXJH-QAXKFHDJSA-N
• XLogP: 4.01
• TPSA: 99.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.74
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-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-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide (CID 5494864) is (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-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-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-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-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-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)C2(CCOCC2)C[C@@H]1Cc1ccccc1.

What is the InChIKey of (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?

The InChIKey is SFZSFNOTTPWXJH-QAXKFHDJSA-N. The full InChI is InChI=1S/C36H42N2O5/c39-30(24-38-29(20-26-11-5-2-6-12-26)23-36(35(38)42)15-17-43-18-16-36)21-28(19-25-9-3-1-4-10-25)34(41)37-33-31-14-8-7-13-27(31)22-32(33)40/h1-14,28-30,32-33,39-40H,15-24H2,(H,37,41)/t28-,29+,30+,32-,33+/m1/s1.

What are the key properties of (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide?

(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide has a molecular weight of 582.74 g/mol, XLogP of 4.01, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide is sourced from PubChem (CID 5494864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).