8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H24F2N2O3 — CID 10272443

IUPAC8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCOC(c3ccccc3)c3ccc(F)c(F)c3)CC2)O1
InChIInChI=1S/C22H24F2N2O3/c23-18-7-6-17(14-19(18)24)20(16-4-2-1-3-5-16)28-13-12-26-10-8-22(9-11-26)15-25-21(27)29-22/h1-7,14,20H,8-13,15H2,(H,25,27)
InChIKeyRTUJKFZOWDDTTL-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.65
Rot. Bonds6

About 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10272443) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10272443
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC Name8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCOC(c3ccccc3)c3ccc(F)c(F)c3)CC2)O1
InChIInChI=1S/C22H24F2N2O3/c23-18-7-6-17(14-19(18)24)20(16-4-2-1-3-5-16)28-13-12-26-10-8-22(9-11-26)15-25-21(27)29-22/h1-7,14,20H,8-13,15H2,(H,25,27)
InChIKeyRTUJKFZOWDDTTL-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10272443) is 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CCOC(c3ccccc3)c3ccc(F)c(F)c3)CC2)O1.
What is the InChIKey of 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RTUJKFZOWDDTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c23-18-7-6-17(14-19(18)24)20(16-4-2-1-3-5-16)28-13-12-26-10-8-22(9-11-26)15-25-21(27)29-22/h1-7,14,20H,8-13,15H2,(H,25,27).
What are the key properties of 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 402.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(3,4-difluorophenyl)-phenylmethoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10272443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).