4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide

C21H30F2N2O2 — CID 153338533

IUPAC4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
SMILESCNC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1
InChIInChI=1S/C21H30F2N2O2/c1-24-20(26)21(9-12-27-13-10-21)25-11-8-15-2-4-16(5-3-15)18-7-6-17(22)14-19(18)23/h6-7,14-16,25H,2-5,8-13H2,1H3,(H,24,26)
InChIKeyYYXYUCXPCLDECG-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.51
Rot. Bonds6

About 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide

4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide (PubChem CID 153338533) has the molecular formula C21H30F2N2O2 and a molecular weight of 380.48 g/mol. Its IUPAC name is 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
PubChem CID153338533
Molecular FormulaC21H30F2N2O2
Molecular Weight380.48 g/mol
Exact Mass380.23
IUPAC Name4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
SMILESCNC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1
InChIInChI=1S/C21H30F2N2O2/c1-24-20(26)21(9-12-27-13-10-21)25-11-8-15-2-4-16(5-3-15)18-7-6-17(22)14-19(18)23/h6-7,14-16,25H,2-5,8-13H2,1H3,(H,24,26)
InChIKeyYYXYUCXPCLDECG-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide (CID 153338533) is 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide is CNC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1.
What is the InChIKey of 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide?
The InChIKey is YYXYUCXPCLDECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N2O2/c1-24-20(26)21(9-12-27-13-10-21)25-11-8-15-2-4-16(5-3-15)18-7-6-17(22)14-19(18)23/h6-7,14-16,25H,2-5,8-13H2,1H3,(H,24,26).
What are the key properties of 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide?
4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 153338533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).