(2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H24F2N2O2 — CID 135374656

IUPAC(2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccc(F)cc3F)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C18H24F2N2O2/c1-3-22-12-18(24-13(2)17(22)23)6-8-21(9-7-18)11-14-4-5-15(19)10-16(14)20/h4-5,10,13H,3,6-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyAZIJYDNSTGLLNP-ZDUSSCGKSA-N
MW338.40 g/mol
LogP2.57
Rot. Bonds3

About (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374656) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374656
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name(2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccc(F)cc3F)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C18H24F2N2O2/c1-3-22-12-18(24-13(2)17(22)23)6-8-21(9-7-18)11-14-4-5-15(19)10-16(14)20/h4-5,10,13H,3,6-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyAZIJYDNSTGLLNP-ZDUSSCGKSA-N
XLogP2.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.57
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 (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374656) is (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(Cc3ccc(F)cc3F)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AZIJYDNSTGLLNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-3-22-12-18(24-13(2)17(22)23)6-8-21(9-7-18)11-14-4-5-15(19)10-16(14)20/h4-5,10,13H,3,6-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 338.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-[(2,4-difluorophenyl)methyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).