2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide

C27H37N3O2 — CID 110166571

About 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 110166571) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 110166571
• Molecular Formula: C27H37N3O2
• Molecular Weight: 435.61 g/mol
• Exact Mass: 435.29
• IUPAC Name: 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CCCN3CCc3ccccc3)[C@@H](O)C2)cc1
• InChI: InChI=1S/C27H37N3O2/c1-21(2)23-9-11-24(12-10-23)28-26(32)20-29-18-15-27(25(31)19-29)14-6-16-30(27)17-13-22-7-4-3-5-8-22/h3-5,7-12,21,25,31H,6,13-20H2,1-2H3,(H,28,32)/t25-,27-/m0/s1
• InChIKey: CJPRDKBIDRRFBR-BDYUSTAISA-N
• XLogP: 3.89
• TPSA: 55.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.61
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 110166571) is 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN2CC[C@@]3(CCCN3CCc3ccccc3)[C@@H](O)C2)cc1.

What is the InChIKey of 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is CJPRDKBIDRRFBR-BDYUSTAISA-N. The full InChI is InChI=1S/C27H37N3O2/c1-21(2)23-9-11-24(12-10-23)28-26(32)20-29-18-15-27(25(31)19-29)14-6-16-30(27)17-13-22-7-4-3-5-8-22/h3-5,7-12,21,25,31H,6,13-20H2,1-2H3,(H,28,32)/t25-,27-/m0/s1.

What are the key properties of 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide?

2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 435.61 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 110166571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).