8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

C19H24F2N2O2 — CID 135332733

IUPAC8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C19H24F2N2O2/c1-2-23-13-18(25-19(5-6-19)17(23)24)7-9-22(10-8-18)12-14-3-4-15(20)16(21)11-14/h3-4,11H,2,5-10,12-13H2,1H3
InChIKeyXPOGONPZOWZEMS-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.71
Rot. Bonds3

About 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one

8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (PubChem CID 135332733) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.

Molecular Properties

Compound Name8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
PubChem CID135332733
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one
SMILESCCN1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C19H24F2N2O2/c1-2-23-13-18(25-19(5-6-19)17(23)24)7-9-22(10-8-18)12-14-3-4-15(20)16(21)11-14/h3-4,11H,2,5-10,12-13H2,1H3
InChIKeyXPOGONPZOWZEMS-UHFFFAOYSA-N
XLogP2.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The IUPAC name of 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one (CID 135332733) is 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one.
What is the SMILES notation for 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The canonical SMILES for 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is CCN1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
The InChIKey is XPOGONPZOWZEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-2-23-13-18(25-19(5-6-19)17(23)24)7-9-22(10-8-18)12-14-3-4-15(20)16(21)11-14/h3-4,11H,2,5-10,12-13H2,1H3.
What are the key properties of 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one?
8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one has a molecular weight of 350.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-difluorophenyl)methyl]-12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one is sourced from PubChem (CID 135332733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).