N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C22H29FN2O3 — CID 91912658

IUPACN-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C22H29FN2O3/c23-17-8-6-16(7-9-17)21(27)25-14-19(22(15-25)10-12-28-13-11-22)20(26)24-18-4-2-1-3-5-18/h6-9,18-19H,1-5,10-15H2,(H,24,26)
InChIKeyMANDEOJZTFPNQS-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.14
Rot. Bonds3

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

N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912658) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912658
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC NameN-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C22H29FN2O3/c23-17-8-6-16(7-9-17)21(27)25-14-19(22(15-25)10-12-28-13-11-22)20(26)24-18-4-2-1-3-5-18/h6-9,18-19H,1-5,10-15H2,(H,24,26)
InChIKeyMANDEOJZTFPNQS-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912658) is N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NC1CCCCC1)C1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2.
What is the InChIKey of N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is MANDEOJZTFPNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c23-17-8-6-16(7-9-17)21(27)25-14-19(22(15-25)10-12-28-13-11-22)20(26)24-18-4-2-1-3-5-18/h6-9,18-19H,1-5,10-15H2,(H,24,26).
What are the key properties of N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-fluorobenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).