3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene

C21H23NO2 — CID 18782568

IUPAC3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
SMILESCOc1ccccc1C1=CC2(CCCNC2c2ccccc2)OC1
InChIInChI=1S/C21H23NO2/c1-23-19-11-6-5-10-18(19)17-14-21(24-15-17)12-7-13-22-20(21)16-8-3-2-4-9-16/h2-6,8-11,14,20,22H,7,12-13,15H2,1H3
InChIKeyNXCCTXNXPRCZOH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.97
Rot. Bonds3

About 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene

3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene (PubChem CID 18782568) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
PubChem CID18782568
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene
SMILESCOc1ccccc1C1=CC2(CCCNC2c2ccccc2)OC1
InChIInChI=1S/C21H23NO2/c1-23-19-11-6-5-10-18(19)17-14-21(24-15-17)12-7-13-22-20(21)16-8-3-2-4-9-16/h2-6,8-11,14,20,22H,7,12-13,15H2,1H3
InChIKeyNXCCTXNXPRCZOH-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene (CID 18782568) is 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene is COc1ccccc1C1=CC2(CCCNC2c2ccccc2)OC1.
What is the InChIKey of 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
The InChIKey is NXCCTXNXPRCZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-23-19-11-6-5-10-18(19)17-14-21(24-15-17)12-7-13-22-20(21)16-8-3-2-4-9-16/h2-6,8-11,14,20,22H,7,12-13,15H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene?
3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene has a molecular weight of 321.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-10-phenyl-1-oxa-9-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 18782568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).