8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

C20H23N3O — CID 162677090

IUPAC8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
SMILESCc1cccc(C2=NC3(CCN(Cc4ccccc4)CC3)ON2)c1
InChIInChI=1S/C20H23N3O/c1-16-6-5-9-18(14-16)19-21-20(24-22-19)10-12-23(13-11-20)15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,22)
InChIKeyWOSPJYWARYNWCN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.27
Rot. Bonds3

About 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene (PubChem CID 162677090) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
PubChem CID162677090
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
SMILESCc1cccc(C2=NC3(CCN(Cc4ccccc4)CC3)ON2)c1
InChIInChI=1S/C20H23N3O/c1-16-6-5-9-18(14-16)19-21-20(24-22-19)10-12-23(13-11-20)15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,22)
InChIKeyWOSPJYWARYNWCN-UHFFFAOYSA-N
XLogP3.27
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The IUPAC name of 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene (CID 162677090) is 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene is Cc1cccc(C2=NC3(CCN(Cc4ccccc4)CC3)ON2)c1.
What is the InChIKey of 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The InChIKey is WOSPJYWARYNWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-16-6-5-9-18(14-16)19-21-20(24-22-19)10-12-23(13-11-20)15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,22).
What are the key properties of 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene has a molecular weight of 321.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(3-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 162677090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).