9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C18H24F2N2O3 — CID 134808269

IUPAC9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCOCCN1CCOC2(CCN(Cc3ccc(F)cc3F)CC2)C1=O
InChIInChI=1S/C18H24F2N2O3/c1-24-10-8-22-9-11-25-18(17(22)23)4-6-21(7-5-18)13-14-2-3-15(19)12-16(14)20/h2-3,12H,4-11,13H2,1H3
InChIKeyZUWJCWZTGBMOCB-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.80
Rot. Bonds5

About 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 134808269) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID134808269
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCOCCN1CCOC2(CCN(Cc3ccc(F)cc3F)CC2)C1=O
InChIInChI=1S/C18H24F2N2O3/c1-24-10-8-22-9-11-25-18(17(22)23)4-6-21(7-5-18)13-14-2-3-15(19)12-16(14)20/h2-3,12H,4-11,13H2,1H3
InChIKeyZUWJCWZTGBMOCB-UHFFFAOYSA-N
XLogP1.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 134808269) is 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is COCCN1CCOC2(CCN(Cc3ccc(F)cc3F)CC2)C1=O.
What is the InChIKey of 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is ZUWJCWZTGBMOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-24-10-8-22-9-11-25-18(17(22)23)4-6-21(7-5-18)13-14-2-3-15(19)12-16(14)20/h2-3,12H,4-11,13H2,1H3.
What are the key properties of 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 354.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-difluorophenyl)methyl]-4-(2-methoxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134808269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).