N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C22H28F2N2O3 — CID 91912665

IUPACN-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2
InChIInChI=1S/C22H28F2N2O3/c23-18-7-6-15(12-19(18)24)21(28)26-13-17(22(14-26)8-10-29-11-9-22)20(27)25-16-4-2-1-3-5-16/h6-7,12,16-17H,1-5,8-11,13-14H2,(H,25,27)
InChIKeyXSLMZYUPYZHDLX-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.28
Rot. Bonds3

About N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912665) has the molecular formula C22H28F2N2O3 and a molecular weight of 406.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912665
Molecular FormulaC22H28F2N2O3
Molecular Weight406.47 g/mol
Exact Mass406.21
IUPAC NameN-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2
InChIInChI=1S/C22H28F2N2O3/c23-18-7-6-15(12-19(18)24)21(28)26-13-17(22(14-26)8-10-29-11-9-22)20(27)25-16-4-2-1-3-5-16/h6-7,12,16-17H,1-5,8-11,13-14H2,(H,25,27)
InChIKeyXSLMZYUPYZHDLX-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912665) is N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NC1CCCCC1)C1CN(C(=O)c2ccc(F)c(F)c2)CC12CCOCC2.
What is the InChIKey of N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is XSLMZYUPYZHDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O3/c23-18-7-6-15(12-19(18)24)21(28)26-13-17(22(14-26)8-10-29-11-9-22)20(27)25-16-4-2-1-3-5-16/h6-7,12,16-17H,1-5,8-11,13-14H2,(H,25,27).
What are the key properties of N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-difluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).