methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C19H24F2N2O3 — CID 45184859

IUPACmethyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C19H24F2N2O3/c1-3-23-17(24)11-14(18(25)26-2)19(23)7-9-22(10-8-19)12-13-15(20)5-4-6-16(13)21/h4-6,14H,3,7-12H2,1-2H3
InChIKeyLEYNEAOGLLTGAD-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.34
Rot. Bonds4

About methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45184859) has the molecular formula C19H24F2N2O3 and a molecular weight of 366.41 g/mol. Its IUPAC name is methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45184859
Molecular FormulaC19H24F2N2O3
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Namemethyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(Cc1c(F)cccc1F)CC2
InChIInChI=1S/C19H24F2N2O3/c1-3-23-17(24)11-14(18(25)26-2)19(23)7-9-22(10-8-19)12-13-15(20)5-4-6-16(13)21/h4-6,14H,3,7-12H2,1-2H3
InChIKeyLEYNEAOGLLTGAD-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45184859) is methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is CCN1C(=O)CC(C(=O)OC)C12CCN(Cc1c(F)cccc1F)CC2.
What is the InChIKey of methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is LEYNEAOGLLTGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O3/c1-3-23-17(24)11-14(18(25)26-2)19(23)7-9-22(10-8-19)12-13-15(20)5-4-6-16(13)21/h4-6,14H,3,7-12H2,1-2H3.
What are the key properties of methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(2,6-difluorophenyl)methyl]-1-ethyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45184859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).