9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

C21H24N2O2 — CID 134787530

IUPAC9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCOc1ccc(CN2CCCC3(CC(c4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C21H24N2O2/c1-24-19-10-8-17(9-11-19)15-23-13-5-12-21(16-23)14-20(22-25-21)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3
InChIKeyPHVYCYQHQKLVNJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.85
Rot. Bonds4

About 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene

9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (PubChem CID 134787530) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
PubChem CID134787530
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
SMILESCOc1ccc(CN2CCCC3(CC(c4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C21H24N2O2/c1-24-19-10-8-17(9-11-19)15-23-13-5-12-21(16-23)14-20(22-25-21)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3
InChIKeyPHVYCYQHQKLVNJ-UHFFFAOYSA-N
XLogP3.85
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene (CID 134787530) is 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is COc1ccc(CN2CCCC3(CC(c4ccccc4)=NO3)C2)cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
The InChIKey is PHVYCYQHQKLVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-24-19-10-8-17(9-11-19)15-23-13-5-12-21(16-23)14-20(22-25-21)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3.
What are the key properties of 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene?
9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene has a molecular weight of 336.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-3-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 134787530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).