(2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C19H27FN2O2 — CID 129053861

IUPAC(2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1C[C@]2(CCCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)9-4-11-21(12-10-19)13-16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3/t15-,19-/m1/s1
InChIKeySDLMDCGHIYSNOS-DNVCBOLYSA-N
MW334.44 g/mol
LogP2.82
Rot. Bonds3

About (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

(2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 129053861) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID129053861
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name(2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1C[C@]2(CCCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)9-4-11-21(12-10-19)13-16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3/t15-,19-/m1/s1
InChIKeySDLMDCGHIYSNOS-DNVCBOLYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.82
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
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)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
(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
4-Ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561097
(2R)-9-[2-(2,3-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561099
4-Benzyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562403
(2R)-9-[2-(2,4-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162644152
(2R)-9-[2-(2,6-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162655458

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 129053861) is (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1C[C@]2(CCCN(Cc3ccc(F)cc3)CC2)O[C@H](C)C1=O.
What is the InChIKey of (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is SDLMDCGHIYSNOS-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-22-14-19(24-15(2)18(22)23)9-4-11-21(12-10-19)13-16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
(2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 334.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-ethyl-10-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 129053861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).