2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone

C21H23N3O3 — CID 91888910

IUPAC2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)N=C(c1ccccc1)NO2
InChIInChI=1S/C21H23N3O3/c1-26-18-10-6-5-9-17(18)15-19(25)24-13-11-21(12-14-24)22-20(23-27-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,23)
InChIKeyHSXFFINYKGZINU-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.54
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone

2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone (PubChem CID 91888910) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone
PubChem CID91888910
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC2(CC1)N=C(c1ccccc1)NO2
InChIInChI=1S/C21H23N3O3/c1-26-18-10-6-5-9-17(18)15-19(25)24-13-11-21(12-14-24)22-20(23-27-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,23)
InChIKeyHSXFFINYKGZINU-UHFFFAOYSA-N
XLogP2.54
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone (CID 91888910) is 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone is COc1ccccc1CC(=O)N1CCC2(CC1)N=C(c1ccccc1)NO2.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone?
The InChIKey is HSXFFINYKGZINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-18-10-6-5-9-17(18)15-19(25)24-13-11-21(12-14-24)22-20(23-27-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,23).
What are the key properties of 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone?
2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone has a molecular weight of 365.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)ethanone is sourced from PubChem (CID 91888910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).