N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

C19H25FN2O4 — CID 47023689

IUPACN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H25FN2O4/c1-13(2)16(21-17(23)14-5-3-4-6-15(14)20)18(24)22-9-7-19(8-10-22)25-11-12-26-19/h3-6,13,16H,7-12H2,1-2H3,(H,21,23)
InChIKeyVIDJGKOKMLEVPL-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.95
Rot. Bonds4

About N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (PubChem CID 47023689) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
PubChem CID47023689
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC NameN-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H25FN2O4/c1-13(2)16(21-17(23)14-5-3-4-6-15(14)20)18(24)22-9-7-19(8-10-22)25-11-12-26-19/h3-6,13,16H,7-12H2,1-2H3,(H,21,23)
InChIKeyVIDJGKOKMLEVPL-UHFFFAOYSA-N
XLogP1.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (CID 47023689) is N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is CC(C)C(NC(=O)c1ccccc1F)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The InChIKey is VIDJGKOKMLEVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-13(2)16(21-17(23)14-5-3-4-6-15(14)20)18(24)22-9-7-19(8-10-22)25-11-12-26-19/h3-6,13,16H,7-12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide has a molecular weight of 364.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 47023689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).