4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide

C21H30F2N2O2 — CID 153338564

IUPAC4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESCc1cc(F)c(F)cc1C1CCC(CCNC2(C(N)=O)CCOCC2)CC1
InChIInChI=1S/C21H30F2N2O2/c1-14-12-18(22)19(23)13-17(14)16-4-2-15(3-5-16)6-9-25-21(20(24)26)7-10-27-11-8-21/h12-13,15-16,25H,2-11H2,1H3,(H2,24,26)
InChIKeyJSPPZTQLTTVXLD-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.56
Rot. Bonds6

About 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide

4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 153338564) has the molecular formula C21H30F2N2O2 and a molecular weight of 380.48 g/mol. Its IUPAC name is 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID153338564
Molecular FormulaC21H30F2N2O2
Molecular Weight380.48 g/mol
Exact Mass380.23
IUPAC Name4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESCc1cc(F)c(F)cc1C1CCC(CCNC2(C(N)=O)CCOCC2)CC1
InChIInChI=1S/C21H30F2N2O2/c1-14-12-18(22)19(23)13-17(14)16-4-2-15(3-5-16)6-9-25-21(20(24)26)7-10-27-11-8-21/h12-13,15-16,25H,2-11H2,1H3,(H2,24,26)
InChIKeyJSPPZTQLTTVXLD-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (CID 153338564) is 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is Cc1cc(F)c(F)cc1C1CCC(CCNC2(C(N)=O)CCOCC2)CC1.
What is the InChIKey of 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is JSPPZTQLTTVXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N2O2/c1-14-12-18(22)19(23)13-17(14)16-4-2-15(3-5-16)6-9-25-21(20(24)26)7-10-27-11-8-21/h12-13,15-16,25H,2-11H2,1H3,(H2,24,26).
What are the key properties of 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4,5-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 153338564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).