2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane

C25H25NO — CID 11792538

IUPAC2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane
SMILESc1ccc(C2CCC3(CC2)ON3C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO/c1-4-10-20(11-5-1)21-16-18-25(19-17-21)26(27-25)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,21,24H,16-19H2
InChIKeyOOWGNTJYDKEZPY-UHFFFAOYSA-N
MW355.48 g/mol
LogP6.08
Rot. Bonds4

About 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane

2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane (PubChem CID 11792538) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane.

Molecular Properties

Compound Name2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane
PubChem CID11792538
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane
SMILESc1ccc(C2CCC3(CC2)ON3C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO/c1-4-10-20(11-5-1)21-16-18-25(19-17-21)26(27-25)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,21,24H,16-19H2
InChIKeyOOWGNTJYDKEZPY-UHFFFAOYSA-N
XLogP6.08
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-phenylspiro[2.5]octane
CID 123640963
benzene;cyclopropylbenzene
CID 144638417
(3S,4R,6S)-2-benzhydryl-6-tert-butyl-4-methyl-1-oxa-2-azaspiro[2.5]octan-4-ol
CID 10713898
(3R,4S,6S)-2-benzhydryl-6-tert-butyl-4-methyl-1-oxa-2-azaspiro[2.5]octan-4-ol
CID 10666541
2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one
CID 14787845
phenyl-(4-phenylpiperidin-1-yl)methanol
CID 57150184
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine
CID 80605631
cyclopentylbenzene;iron
CID 158512704
5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
CID 167092209
CID 159076923
CID 159076923
1-[(3R)-3-hydroxy-3-phenylpropyl]-8-phenyl-1-azaspiro[4.5]decan-2-one
CID 70679661

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane?
The IUPAC name of 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane (CID 11792538) is 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane.
What is the SMILES notation for 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane?
The canonical SMILES for 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane is c1ccc(C2CCC3(CC2)ON3C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane?
The InChIKey is OOWGNTJYDKEZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-4-10-20(11-5-1)21-16-18-25(19-17-21)26(27-25)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,21,24H,16-19H2.
What are the key properties of 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane?
2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane has a molecular weight of 355.48 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-6-phenyl-1-oxa-2-azaspiro[2.5]octane is sourced from PubChem (CID 11792538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).