4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C22H28N2O — CID 118562539

IUPAC4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(CCN2CCC3(CC2)CN(c2ccccc2)CCO3)cc1
InChIInChI=1S/C22H28N2O/c1-3-7-20(8-4-1)11-14-23-15-12-22(13-16-23)19-24(17-18-25-22)21-9-5-2-6-10-21/h1-10H,11-19H2
InChIKeyMUBOPWNOOFCUJQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.60
Rot. Bonds4

About 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118562539) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118562539
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(CCN2CCC3(CC2)CN(c2ccccc2)CCO3)cc1
InChIInChI=1S/C22H28N2O/c1-3-7-20(8-4-1)11-14-23-15-12-22(13-16-23)19-24(17-18-25-22)21-9-5-2-6-10-21/h1-10H,11-19H2
InChIKeyMUBOPWNOOFCUJQ-UHFFFAOYSA-N
XLogP3.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

13-phenyl-7-(2-phenylethyl)-4-oxa-7,13-diazaspiro[2.11]tetradecane
CID 145297728
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118570199
methane;4-(2-phenylethyl)morpholine
CID 143698819
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
9-[2-(3-hydroxyphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562319
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
(5-fluoro-2-pyridinyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanol
CID 135314413
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
2-(hydroxymethyl)-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562362
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118562539) is 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is c1ccc(CCN2CCC3(CC2)CN(c2ccccc2)CCO3)cc1.
What is the InChIKey of 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is MUBOPWNOOFCUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-7-20(8-4-1)11-14-23-15-12-22(13-16-23)19-24(17-18-25-22)21-9-5-2-6-10-21/h1-10H,11-19H2.
What are the key properties of 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 336.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).