2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane

C19H21NO3 — CID 10267461

IUPAC2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane
SMILESc1ccc(C2CC3(OCCCCO3)ON2c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-3-9-16(10-4-1)18-15-19(21-13-7-8-14-22-19)23-20(18)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2
InChIKeyNVZSWGBOCSMUHU-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.05
Rot. Bonds2

About 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane

2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane (PubChem CID 10267461) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane.

Molecular Properties

Compound Name2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane
PubChem CID10267461
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane
SMILESc1ccc(C2CC3(OCCCCO3)ON2c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-3-9-16(10-4-1)18-15-19(21-13-7-8-14-22-19)23-20(18)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2
InChIKeyNVZSWGBOCSMUHU-UHFFFAOYSA-N
XLogP4.05
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane?
The IUPAC name of 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane (CID 10267461) is 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane.
What is the SMILES notation for 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane?
The canonical SMILES for 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane is c1ccc(C2CC3(OCCCCO3)ON2c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane?
The InChIKey is NVZSWGBOCSMUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-9-16(10-4-1)18-15-19(21-13-7-8-14-22-19)23-20(18)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2.
What are the key properties of 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane?
2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane has a molecular weight of 311.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,6,11-trioxa-2-azaspiro[4.6]undecane is sourced from PubChem (CID 10267461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).