4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C25H30N2O2 — CID 11257803

IUPAC4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1(c3ccccc3)CCCOC1)CC2
InChIInChI=1S/C25H30N2O2/c28-23-24(22(18-26-23)20-8-3-1-4-9-20)13-15-27(16-14-24)25(12-7-17-29-19-25)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,26,28)
InChIKeyHDXLFCMABRPUOD-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.69
Rot. Bonds3

About 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11257803) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11257803
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccccc2)C12CCN(C1(c3ccccc3)CCCOC1)CC2
InChIInChI=1S/C25H30N2O2/c28-23-24(22(18-26-23)20-8-3-1-4-9-20)13-15-27(16-14-24)25(12-7-17-29-19-25)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,26,28)
InChIKeyHDXLFCMABRPUOD-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 11257803) is 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccccc2)C12CCN(C1(c3ccccc3)CCCOC1)CC2.
What is the InChIKey of 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HDXLFCMABRPUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-23-24(22(18-26-23)20-8-3-1-4-9-20)13-15-27(16-14-24)25(12-7-17-29-19-25)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2,(H,26,28).
What are the key properties of 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 390.53 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11257803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).