3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C36H63N7O6 — CID 23344714

About 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 23344714) has the molecular formula C36H63N7O6 and a molecular weight of 689.94 g/mol. Its IUPAC name is 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 23344714
• Molecular Formula: C36H63N7O6
• Molecular Weight: 689.94 g/mol
• Exact Mass: 689.48
• IUPAC Name: 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CN1C(C)(C)CC2(CC1(C)C)NC(=O)N(CC(O)CN(CC(O)CN1C(=O)NC3(CC(C)(C)N(C)C(C)(C)C3)C1=O)C1CCCCC1)C2=O
• InChI: InChI=1S/C36H63N7O6/c1-31(2)20-35(21-32(3,4)39(31)9)27(46)42(29(48)37-35)18-25(44)16-41(24-14-12-11-13-15-24)17-26(45)19-43-28(47)36(38-30(43)49)22-33(5,6)40(10)34(7,8)23-36/h24-26,44-45H,11-23H2,1-10H3,(H,37,48)(H,38,49)
• InChIKey: TVFVCXUSLNHWES-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 149.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	689.94
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 23344714) is 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(C)(C)CC2(CC1(C)C)NC(=O)N(CC(O)CN(CC(O)CN1C(=O)NC3(CC(C)(C)N(C)C(C)(C)C3)C1=O)C1CCCCC1)C2=O.

What is the InChIKey of 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is TVFVCXUSLNHWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H63N7O6/c1-31(2)20-35(21-32(3,4)39(31)9)27(46)42(29(48)37-35)18-25(44)16-41(24-14-12-11-13-15-24)17-26(45)19-43-28(47)36(38-30(43)49)22-33(5,6)40(10)34(7,8)23-36/h24-26,44-45H,11-23H2,1-10H3,(H,37,48)(H,38,49).

What are the key properties of 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 689.94 g/mol, XLogP of 2.49, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[cyclohexyl-[2-hydroxy-3-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propyl]amino]-2-hydroxypropyl]-7,7,8,9,9-pentamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 23344714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).