(5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

C28H33F3N2O4 — CID 150987875

IUPAC(5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCOc1ccccc1[C@@H]1CNC(=O)CC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2
InChIInChI=1S/C28H33F3N2O4/c1-3-17-37-23-12-8-7-11-21(23)22-19-32-24(34)18-26(22)13-15-33(16-14-26)25(35)27(36-2,28(29,30)31)20-9-5-4-6-10-20/h4-12,22H,3,13-19H2,1-2H3,(H,32,34)/t22-,27+/m0/s1
InChIKeyLRLYEDBBHWMLTK-WXVAWEFUSA-N
MW518.58 g/mol
LogP4.79
Rot. Bonds7

About (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one

(5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 150987875) has the molecular formula C28H33F3N2O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID150987875
Molecular FormulaC28H33F3N2O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC Name(5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCOc1ccccc1[C@@H]1CNC(=O)CC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2
InChIInChI=1S/C28H33F3N2O4/c1-3-17-37-23-12-8-7-11-21(23)22-19-32-24(34)18-26(22)13-15-33(16-14-26)25(35)27(36-2,28(29,30)31)20-9-5-4-6-10-20/h4-12,22H,3,13-19H2,1-2H3,(H,32,34)/t22-,27+/m0/s1
InChIKeyLRLYEDBBHWMLTK-WXVAWEFUSA-N
XLogP4.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150987874
5-[2-(2-methoxy-2-methylpropoxy)phenyl]-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151749854
(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
9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-5-(2,3,5-trifluorophenyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 151171409
(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
(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
5-(2-ethylpyrazol-3-yl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 150807519
(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
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-pyrazolo[1,5-a]pyridin-7-yl-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 151117213
(5R)-5-phenyl-9-(3,3,3-trifluoro-2-methoxy-2-naphthalen-1-ylpropanoyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 150975583

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one (CID 150987875) is (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is CCCOc1ccccc1[C@@H]1CNC(=O)CC12CCN(C(=O)[C@](OC)(c1ccccc1)C(F)(F)F)CC2.
What is the InChIKey of (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is LRLYEDBBHWMLTK-WXVAWEFUSA-N. The full InChI is InChI=1S/C28H33F3N2O4/c1-3-17-37-23-12-8-7-11-21(23)22-19-32-24(34)18-26(22)13-15-33(16-14-26)25(35)27(36-2,28(29,30)31)20-9-5-4-6-10-20/h4-12,22H,3,13-19H2,1-2H3,(H,32,34)/t22-,27+/m0/s1.
What are the key properties of (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one?
(5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 518.58 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-propoxyphenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 150987875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).