12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C24H28N2O2 — CID 118562538

IUPAC12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESO=C1N(c2ccccc2)CC2(CCN(CCc3ccccc3)CC2)OC12CC2
InChIInChI=1S/C24H28N2O2/c27-22-24(12-13-24)28-23(19-26(22)21-9-5-2-6-10-21)14-17-25(18-15-23)16-11-20-7-3-1-4-8-20/h1-10H,11-19H2
InChIKeyZCMSPFVAMUOJIK-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.66
Rot. Bonds4

About 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 118562538) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID118562538
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESO=C1N(c2ccccc2)CC2(CCN(CCc3ccccc3)CC2)OC12CC2
InChIInChI=1S/C24H28N2O2/c27-22-24(12-13-24)28-23(19-26(22)21-9-5-2-6-10-21)14-17-25(18-15-23)16-11-20-7-3-1-4-8-20/h1-10H,11-19H2
InChIKeyZCMSPFVAMUOJIK-UHFFFAOYSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 118562538) is 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is O=C1N(c2ccccc2)CC2(CCN(CCc3ccccc3)CC2)OC12CC2.
What is the InChIKey of 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is ZCMSPFVAMUOJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-22-24(12-13-24)28-23(19-26(22)21-9-5-2-6-10-21)14-17-25(18-15-23)16-11-20-7-3-1-4-8-20/h1-10H,11-19H2.
What are the key properties of 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 376.50 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-8-(2-phenylethyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 118562538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).