12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane

C24H30N2O — CID 129053836

IUPAC12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
SMILESc1ccc(CCN2CCCC3(C2)CN(c2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C24H30N2O/c1-3-8-21(9-4-1)12-17-25-16-7-13-24(18-25)20-26(19-23(27-24)14-15-23)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2
InChIKeyMAMVFISTLKWMIL-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.13
Rot. Bonds4

About 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane

12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane (PubChem CID 129053836) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane.

Molecular Properties

Compound Name12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
PubChem CID129053836
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
SMILESc1ccc(CCN2CCCC3(C2)CN(c2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C24H30N2O/c1-3-8-21(9-4-1)12-17-25-16-7-13-24(18-25)20-26(19-23(27-24)14-15-23)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2
InChIKeyMAMVFISTLKWMIL-UHFFFAOYSA-N
XLogP4.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane with MolForge

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Related Compounds

12-Phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 118562538
2,2-Dimethyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562606
4-Phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567670
1-Benzyl-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
CID 44410884
4-(10-methyl-9H-acridin-9-yl)morpholine
CID 137649760
1-Benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
CID 3047724
(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine
CID 44203789
Morpholine, 4-[1,1'-biphenyl]-4-yl-
CID 10911629
US9908897, Example 33
CID 118960442
US10421750, Example 10
CID 129053793
US10689398, Example 22
CID 129053855
US10689398, Example 20
CID 129053859

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The IUPAC name of 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane (CID 129053836) is 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane.
What is the SMILES notation for 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The canonical SMILES for 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane is c1ccc(CCN2CCCC3(C2)CN(c2ccccc2)CC2(CC2)O3)cc1.
What is the InChIKey of 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The InChIKey is MAMVFISTLKWMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-3-8-21(9-4-1)12-17-25-16-7-13-24(18-25)20-26(19-23(27-24)14-15-23)22-10-5-2-6-11-22/h1-6,8-11H,7,12-20H2.
What are the key properties of 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane has a molecular weight of 362.52 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane is sourced from PubChem (CID 129053836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).