3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C21H24N2O2 — CID 134794904

IUPAC3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(CN2CCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C21H24N2O2/c1-24-20-9-7-18(8-10-20)15-23-12-11-21(16-23)14-19(22-25-21)13-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
InChIKeyLVLIBOFKZRIKMX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.66
Rot. Bonds5

About 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134794904) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134794904
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(CN2CCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C21H24N2O2/c1-24-20-9-7-18(8-10-20)15-23-12-11-21(16-23)14-19(22-25-21)13-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
InChIKeyLVLIBOFKZRIKMX-UHFFFAOYSA-N
XLogP3.66
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134794904) is 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is COc1ccc(CN2CCC3(CC(Cc4ccccc4)=NO3)C2)cc1.
What is the InChIKey of 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is LVLIBOFKZRIKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-24-20-9-7-18(8-10-20)15-23-12-11-21(16-23)14-19(22-25-21)13-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3.
What are the key properties of 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 336.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134794904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).