(3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane

C20H23NO — CID 56997577

IUPAC(3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane
SMILESc1ccc([C@@H]2CO[C@]3(CCCN[C@H]3c3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO/c1-3-8-16(9-4-1)18-14-20(22-15-18)12-7-13-21-19(20)17-10-5-2-6-11-17/h1-6,8-11,18-19,21H,7,12-15H2/t18-,19-,20+/m0/s1
InChIKeyWJRYRJACQITXQC-SLFFLAALSA-N
MW293.41 g/mol
LogP4.05
Rot. Bonds2

About (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane

(3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane (PubChem CID 56997577) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane
PubChem CID56997577
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane
SMILESc1ccc([C@@H]2CO[C@]3(CCCN[C@H]3c3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO/c1-3-8-16(9-4-1)18-14-20(22-15-18)12-7-13-21-19(20)17-10-5-2-6-11-17/h1-6,8-11,18-19,21H,7,12-15H2/t18-,19-,20+/m0/s1
InChIKeyWJRYRJACQITXQC-SLFFLAALSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane (CID 56997577) is (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane is c1ccc([C@@H]2CO[C@]3(CCCN[C@H]3c3ccccc3)C2)cc1.
What is the InChIKey of (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is WJRYRJACQITXQC-SLFFLAALSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-8-16(9-4-1)18-14-20(22-15-18)12-7-13-21-19(20)17-10-5-2-6-11-17/h1-6,8-11,18-19,21H,7,12-15H2/t18-,19-,20+/m0/s1.
What are the key properties of (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane?
(3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 293.41 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,10S)-3,10-diphenyl-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 56997577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).