8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C19H26N2O — CID 134787872

IUPAC8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NOC3(CCN(C4CCCCC4)CC3)C2)cc1
InChIInChI=1S/C19H26N2O/c1-3-7-16(8-4-1)18-15-19(22-20-18)11-13-21(14-12-19)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyBCTLNGVZTXTDHO-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.98
Rot. Bonds2

About 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 134787872) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID134787872
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1ccc(C2=NOC3(CCN(C4CCCCC4)CC3)C2)cc1
InChIInChI=1S/C19H26N2O/c1-3-7-16(8-4-1)18-15-19(22-20-18)11-13-21(14-12-19)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyBCTLNGVZTXTDHO-UHFFFAOYSA-N
XLogP3.98
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 134787872) is 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is c1ccc(C2=NOC3(CCN(C4CCCCC4)CC3)C2)cc1.
What is the InChIKey of 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is BCTLNGVZTXTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-7-16(8-4-1)18-15-19(22-20-18)11-13-21(14-12-19)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15H2.
What are the key properties of 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 298.43 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134787872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).