(2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

C27H33F3N2O3 — CID 151800015

About (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

(2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (PubChem CID 151800015) has the molecular formula C27H33F3N2O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
• PubChem CID: 151800015
• Molecular Formula: C27H33F3N2O3
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.24
• IUPAC Name: (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
• SMILES: CCOc1ccccc1C1CNCCC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2
• InChI: InChI=1S/C27H33F3N2O3/c1-3-35-23-12-8-7-11-21(23)22-19-31-16-13-25(22)14-17-32(18-15-25)24(33)26(34-2,27(28,29)30)20-9-5-4-6-10-20/h4-12,22,31H,3,13-19H2,1-2H3/t22?,26-/m1/s1
• InChIKey: RYKKDMNCCPMXJG-ZWAGFTRDSA-N
• XLogP: 4.88
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?

The IUPAC name of (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (CID 151800015) is (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one.

What is the SMILES notation for (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?

The canonical SMILES for (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one is CCOc1ccccc1C1CNCCC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2.

What is the InChIKey of (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?

The InChIKey is RYKKDMNCCPMXJG-ZWAGFTRDSA-N. The full InChI is InChI=1S/C27H33F3N2O3/c1-3-35-23-12-8-7-11-21(23)22-19-31-16-13-25(22)14-17-32(18-15-25)24(33)26(34-2,27(28,29)30)20-9-5-4-6-10-20/h4-12,22,31H,3,13-19H2,1-2H3/t22?,26-/m1/s1.

What are the key properties of (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?

(2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one has a molecular weight of 490.57 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[11-(2-ethoxyphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one is sourced from PubChem (CID 151800015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).