(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

C24H25F3N2O3 — CID 150878766

IUPAC(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)[C@H](c2ccccc2)CN1
InChIInChI=1S/C24H25F3N2O3/c25-24(26,27)23(32,18-9-5-2-6-10-18)21(31)29-13-11-22(12-14-29)15-20(30)28-16-19(22)17-7-3-1-4-8-17/h1-10,19,32H,11-16H2,(H,28,30)/t19-,23-/m0/s1
InChIKeyKVOGMLIUWZNRPS-CVDCTZTESA-N
MW446.47 g/mol
LogP3.35
Rot. Bonds3

About (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 150878766) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID150878766
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC2(CCN(C(=O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)[C@H](c2ccccc2)CN1
InChIInChI=1S/C24H25F3N2O3/c25-24(26,27)23(32,18-9-5-2-6-10-18)21(31)29-13-11-22(12-14-29)15-20(30)28-16-19(22)17-7-3-1-4-8-17/h1-10,19,32H,11-16H2,(H,28,30)/t19-,23-/m0/s1
InChIKeyKVOGMLIUWZNRPS-CVDCTZTESA-N
XLogP3.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-phenyl-9-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150878767
(5R)-9-[(2S)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 151304861
(5R)-9-[(2R)-2-(3,5-dichlorophenyl)-3,3,3-trifluoro-2-hydroxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 152674323
5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one
CID 147408908
(5R)-5-(4-fluorophenyl)-9-[(2S)-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150087990
ethyl (2R)-2-methyl-3-oxo-3-[(5R)-2-oxo-5-phenyl-3,9-diazaspiro[5.5]undecan-9-yl]-2-phenylpropanoate
CID 151111758
(5R)-5-(3,4-difluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150207897
(5R)-5-phenyl-9-(3,3,3-trifluoro-2-methoxy-2-naphthalen-1-ylpropanoyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150975583
9-[2-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methoxypropanoyl]-5-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150377693
(5R)-5-(4-fluoro-3-methylphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151623925
(5R)-5-(2-aminophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151394267
(5S)-5-[2-(difluoromethyl)phenyl]-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150487821

Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (CID 150878766) is (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is O=C1CC2(CCN(C(=O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)[C@H](c2ccccc2)CN1.
What is the InChIKey of (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is KVOGMLIUWZNRPS-CVDCTZTESA-N. The full InChI is InChI=1S/C24H25F3N2O3/c25-24(26,27)23(32,18-9-5-2-6-10-18)21(31)29-13-11-22(12-14-29)15-20(30)28-16-19(22)17-7-3-1-4-8-17/h1-10,19,32H,11-16H2,(H,28,30)/t19-,23-/m0/s1.
What are the key properties of (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 446.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-9-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 150878766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).