(3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane

C23H21NO3 — CID 10383840

IUPAC(3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane
SMILESc1ccc([C@@H]2CO[C@@]3(C[C@@H](c4ccccc4)N(c4ccccc4)O3)O2)cc1
InChIInChI=1S/C23H21NO3/c1-4-10-18(11-5-1)21-16-23(27-24(21)20-14-8-3-9-15-20)25-17-22(26-23)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-,23-/m0/s1
InChIKeyNPULYDDGAFGYSB-VABKMULXSA-N
MW359.43 g/mol
LogP5.01
Rot. Bonds3

About (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane

(3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane (PubChem CID 10383840) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane
PubChem CID10383840
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane
SMILESc1ccc([C@@H]2CO[C@@]3(C[C@@H](c4ccccc4)N(c4ccccc4)O3)O2)cc1
InChIInChI=1S/C23H21NO3/c1-4-10-18(11-5-1)21-16-23(27-24(21)20-14-8-3-9-15-20)25-17-22(26-23)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-,23-/m0/s1
InChIKeyNPULYDDGAFGYSB-VABKMULXSA-N
XLogP5.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane?
The IUPAC name of (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane (CID 10383840) is (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane.
What is the SMILES notation for (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane?
The canonical SMILES for (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane is c1ccc([C@@H]2CO[C@@]3(C[C@@H](c4ccccc4)N(c4ccccc4)O3)O2)cc1.
What is the InChIKey of (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane?
The InChIKey is NPULYDDGAFGYSB-VABKMULXSA-N. The full InChI is InChI=1S/C23H21NO3/c1-4-10-18(11-5-1)21-16-23(27-24(21)20-14-8-3-9-15-20)25-17-22(26-23)19-12-6-2-7-13-19/h1-15,21-22H,16-17H2/t21-,22-,23-/m0/s1.
What are the key properties of (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane?
(3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane has a molecular weight of 359.43 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,8R)-2,3,8-triphenyl-1,6,9-trioxa-2-azaspiro[4.4]nonane is sourced from PubChem (CID 10383840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).