4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one

C28H36N2O2 — CID 21082576

IUPAC4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C2CNC(=O)C23CCN(C2CCCCC2c2ccc(C)cc2)CC3)cc1
InChIInChI=1S/C28H36N2O2/c1-20-7-9-21(10-8-20)24-5-3-4-6-26(24)30-17-15-28(16-18-30)25(19-29-27(28)31)22-11-13-23(32-2)14-12-22/h7-14,24-26H,3-6,15-19H2,1-2H3,(H,29,31)
InChIKeyQXXZBLGXDWJYNL-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.03
Rot. Bonds4

About 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one

4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 21082576) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID21082576
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C2CNC(=O)C23CCN(C2CCCCC2c2ccc(C)cc2)CC3)cc1
InChIInChI=1S/C28H36N2O2/c1-20-7-9-21(10-8-20)24-5-3-4-6-26(24)30-17-15-28(16-18-30)25(19-29-27(28)31)22-11-13-23(32-2)14-12-22/h7-14,24-26H,3-6,15-19H2,1-2H3,(H,29,31)
InChIKeyQXXZBLGXDWJYNL-UHFFFAOYSA-N
XLogP5.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 21082576) is 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is COc1ccc(C2CNC(=O)C23CCN(C2CCCCC2c2ccc(C)cc2)CC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QXXZBLGXDWJYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-20-7-9-21(10-8-20)24-5-3-4-6-26(24)30-17-15-28(16-18-30)25(19-29-27(28)31)22-11-13-23(32-2)14-12-22/h7-14,24-26H,3-6,15-19H2,1-2H3,(H,29,31).
What are the key properties of 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 432.61 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-8-[2-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 21082576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).