9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

C19H26F2N2O2 — CID 70751264

IUPAC9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1cccc(OC(F)F)c1)CC2
InChIInChI=1S/C19H26F2N2O2/c1-2-23-14-19(7-6-17(23)24)8-10-22(11-9-19)13-15-4-3-5-16(12-15)25-18(20)21/h3-5,12,18H,2,6-11,13-14H2,1H3
InChIKeyXPIGVVFSGTWOJP-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.51
Rot. Bonds5

About 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70751264) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70751264
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1cccc(OC(F)F)c1)CC2
InChIInChI=1S/C19H26F2N2O2/c1-2-23-14-19(7-6-17(23)24)8-10-22(11-9-19)13-15-4-3-5-16(12-15)25-18(20)21/h3-5,12,18H,2,6-11,13-14H2,1H3
InChIKeyXPIGVVFSGTWOJP-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (CID 70751264) is 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(Cc1cccc(OC(F)F)c1)CC2.
What is the InChIKey of 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XPIGVVFSGTWOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-2-23-14-19(7-6-17(23)24)8-10-22(11-9-19)13-15-4-3-5-16(12-15)25-18(20)21/h3-5,12,18H,2,6-11,13-14H2,1H3.
What are the key properties of 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 352.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70751264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).