9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene

C21H24N2O — CID 91554495

IUPAC9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
SMILESC1=C(c2ccccc2)NOC12CCCN(Cc1ccccc1)CC2
InChIInChI=1S/C21H24N2O/c1-3-8-18(9-4-1)17-23-14-7-12-21(13-15-23)16-20(22-24-21)19-10-5-2-6-11-19/h1-6,8-11,16,22H,7,12-15,17H2
InChIKeyLKMKNCIBSHJELC-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.99
Rot. Bonds3

About 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene

9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene (PubChem CID 91554495) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene.

Molecular Properties

Compound Name9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
PubChem CID91554495
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
SMILESC1=C(c2ccccc2)NOC12CCCN(Cc1ccccc1)CC2
InChIInChI=1S/C21H24N2O/c1-3-8-18(9-4-1)17-23-14-7-12-21(13-15-23)16-20(22-24-21)19-10-5-2-6-11-19/h1-6,8-11,16,22H,7,12-15,17H2
InChIKeyLKMKNCIBSHJELC-UHFFFAOYSA-N
XLogP3.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Benzyl-3-phenyl-1-oxa-2,7-diazaspiro[4.4]non-3-ene
CID 90904521
3-Phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene
CID 91077605
8-Benzyl-6-methyl-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91205266
3-Phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 91310425

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene?
The IUPAC name of 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene (CID 91554495) is 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene.
What is the SMILES notation for 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene?
The canonical SMILES for 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene is C1=C(c2ccccc2)NOC12CCCN(Cc1ccccc1)CC2.
What is the InChIKey of 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene?
The InChIKey is LKMKNCIBSHJELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-8-18(9-4-1)17-23-14-7-12-21(13-15-23)16-20(22-24-21)19-10-5-2-6-11-19/h1-6,8-11,16,22H,7,12-15,17H2.
What are the key properties of 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene?
9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene has a molecular weight of 320.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-phenyl-1-oxa-2,9-diazaspiro[4.6]undec-3-ene is sourced from PubChem (CID 91554495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).