9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C21H24N2O2 — CID 118567654

IUPAC9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccccc3)CC2)CN1c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-20-16-25-21(17-23(20)19-9-5-2-6-10-19)11-13-22(14-12-21)15-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyKBEJBFGBZGNZHJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.08
Rot. Bonds3

About 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118567654) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118567654
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccccc3)CC2)CN1c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-20-16-25-21(17-23(20)19-9-5-2-6-10-19)11-13-22(14-12-21)15-18-7-3-1-4-8-18/h1-10H,11-17H2
InChIKeyKBEJBFGBZGNZHJ-UHFFFAOYSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118567654) is 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3ccccc3)CC2)CN1c1ccccc1.
What is the InChIKey of 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KBEJBFGBZGNZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20-16-25-21(17-23(20)19-9-5-2-6-10-19)11-13-22(14-12-21)15-18-7-3-1-4-8-18/h1-10H,11-17H2.
What are the key properties of 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 336.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118567654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).