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

C20H28F2N2O2 — CID 153338463

IUPAC4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1
InChIInChI=1S/C20H28F2N2O2/c21-16-5-6-17(18(22)13-16)15-3-1-14(2-4-15)7-10-24-20(19(23)25)8-11-26-12-9-20/h5-6,13-15,24H,1-4,7-12H2,(H2,23,25)
InChIKeyXMAKVZFMPBDUJE-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.25
Rot. Bonds6

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

4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 153338463) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID153338463
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1
InChIInChI=1S/C20H28F2N2O2/c21-16-5-6-17(18(22)13-16)15-3-1-14(2-4-15)7-10-24-20(19(23)25)8-11-26-12-9-20/h5-6,13-15,24H,1-4,7-12H2,(H2,23,25)
InChIKeyXMAKVZFMPBDUJE-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-N-[(1S)-1-cyano-2-(4'-cyano[1,1'-biphenyl]-4-yl)ethyl]tetrahydro-2H-pyran-4-carboxamide
CID 49783666
4-amino-N-[(1S)-1-cyano-2-(4-phenylphenyl)ethyl]oxane-4-carboxamide
CID 66645269
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338612
4-[2-[4-(2,4,6-Trifluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 152538936
4-[2-[4-(2,4-Difluoro-6-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338446
4-[2-[4-(2-Chloro-3-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338454
1-[2-[4-(2,4-Difluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
CID 153338458
N-ethyl-4-[2-[4-[4-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338514
4-[2-[4-[4-Fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338524
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338531
4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338533
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 153338534

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (CID 153338463) is 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is NC(=O)C1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1.
What is the InChIKey of 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is XMAKVZFMPBDUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c21-16-5-6-17(18(22)13-16)15-3-1-14(2-4-15)7-10-24-20(19(23)25)8-11-26-12-9-20/h5-6,13-15,24H,1-4,7-12H2,(H2,23,25).
What are the key properties of 4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethylamino]oxane-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.25, 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]oxane-4-carboxamide is sourced from PubChem (CID 153338463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).