N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide

C18H23FN2O4 — CID 5296099

IUPACN-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide
SMILESCC1(O)N(CCC(=O)Nc2cccc(F)c2)C(=O)OC12CCCCC2
InChIInChI=1S/C18H23FN2O4/c1-17(24)18(9-3-2-4-10-18)25-16(23)21(17)11-8-15(22)20-14-7-5-6-13(19)12-14/h5-7,12,24H,2-4,8-11H2,1H3,(H,20,22)
InChIKeyNMRNKNBTRGDHGU-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.02
Rot. Bonds4

About N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide

N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide (PubChem CID 5296099) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide
PubChem CID5296099
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide
SMILESCC1(O)N(CCC(=O)Nc2cccc(F)c2)C(=O)OC12CCCCC2
InChIInChI=1S/C18H23FN2O4/c1-17(24)18(9-3-2-4-10-18)25-16(23)21(17)11-8-15(22)20-14-7-5-6-13(19)12-14/h5-7,12,24H,2-4,8-11H2,1H3,(H,20,22)
InChIKeyNMRNKNBTRGDHGU-UHFFFAOYSA-N
XLogP3.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide (CID 5296099) is N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide is CC1(O)N(CCC(=O)Nc2cccc(F)c2)C(=O)OC12CCCCC2.
What is the InChIKey of N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is NMRNKNBTRGDHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c1-17(24)18(9-3-2-4-10-18)25-16(23)21(17)11-8-15(22)20-14-7-5-6-13(19)12-14/h5-7,12,24H,2-4,8-11H2,1H3,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide?
N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 350.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 5296099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).