2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide

C32H38F6N2O3 — CID 73014059

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide (PubChem CID 73014059) has the molecular formula C32H38F6N2O3 and a molecular weight of 612.66 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide
• PubChem CID: 73014059
• Molecular Formula: C32H38F6N2O3
• Molecular Weight: 612.66 g/mol
• Exact Mass: 612.28
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide
• SMILES: CC(C(=O)NC1(c2ccccc2)CCC(N2CCC3(CCC(O)CO3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C32H38F6N2O3/c1-21(22-17-24(31(33,34)35)19-25(18-22)32(36,37)38)28(42)39-30(23-5-3-2-4-6-23)11-7-26(8-12-30)40-15-13-29(14-16-40)10-9-27(41)20-43-29/h2-6,17-19,21,26-27,41H,7-16,20H2,1H3,(H,39,42)
• InChIKey: UDTGZSOWUICAJH-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.66
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide (CID 73014059) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide is CC(C(=O)NC1(c2ccccc2)CCC(N2CCC3(CCC(O)CO3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide?

The InChIKey is UDTGZSOWUICAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F6N2O3/c1-21(22-17-24(31(33,34)35)19-25(18-22)32(36,37)38)28(42)39-30(23-5-3-2-4-6-23)11-7-26(8-12-30)40-15-13-29(14-16-40)10-9-27(41)20-43-29/h2-6,17-19,21,26-27,41H,7-16,20H2,1H3,(H,39,42).

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide has a molecular weight of 612.66 g/mol, XLogP of 6.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(3-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-1-phenylcyclohexyl]propanamide is sourced from PubChem (CID 73014059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).