2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

C25H29FN2O3 — CID 45167755

IUPAC2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESCC(C(=O)N1CCC2(CCC(CNC(=O)c3ccccc3F)O2)CC1)c1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-18(19-7-3-2-4-8-19)24(30)28-15-13-25(14-16-28)12-11-20(31-25)17-27-23(29)21-9-5-6-10-22(21)26/h2-10,18,20H,11-17H2,1H3,(H,27,29)
InChIKeyOUTKEDCLMTYECI-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.90
Rot. Bonds5

About 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (PubChem CID 45167755) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
PubChem CID45167755
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESCC(C(=O)N1CCC2(CCC(CNC(=O)c3ccccc3F)O2)CC1)c1ccccc1
InChIInChI=1S/C25H29FN2O3/c1-18(19-7-3-2-4-8-19)24(30)28-15-13-25(14-16-28)12-11-20(31-25)17-27-23(29)21-9-5-6-10-22(21)26/h2-10,18,20H,11-17H2,1H3,(H,27,29)
InChIKeyOUTKEDCLMTYECI-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (CID 45167755) is 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is CC(C(=O)N1CCC2(CCC(CNC(=O)c3ccccc3F)O2)CC1)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The InChIKey is OUTKEDCLMTYECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-18(19-7-3-2-4-8-19)24(30)28-15-13-25(14-16-28)12-11-20(31-25)17-27-23(29)21-9-5-6-10-22(21)26/h2-10,18,20H,11-17H2,1H3,(H,27,29).
What are the key properties of 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[8-(2-phenylpropanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is sourced from PubChem (CID 45167755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).