4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide

C21H30F2N2O2 — CID 155757728

IUPAC4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESCc1c(C2CCC(CCNC3(C(N)=O)CCOCC3)CC2)ccc(F)c1F
InChIInChI=1S/C21H30F2N2O2/c1-14-17(6-7-18(22)19(14)23)16-4-2-15(3-5-16)8-11-25-21(20(24)26)9-12-27-13-10-21/h6-7,15-16,25H,2-5,8-13H2,1H3,(H2,24,26)
InChIKeyYOYHNPMEZAKBFR-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.56
Rot. Bonds6

About 4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide

4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (PubChem CID 155757728) has the molecular formula C21H30F2N2O2 and a molecular weight of 380.48 g/mol. Its IUPAC name is 4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
PubChem CID155757728
Molecular FormulaC21H30F2N2O2
Molecular Weight380.48 g/mol
Exact Mass380.23
IUPAC Name4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
SMILESCc1c(C2CCC(CCNC3(C(N)=O)CCOCC3)CC2)ccc(F)c1F
InChIInChI=1S/C21H30F2N2O2/c1-14-17(6-7-18(22)19(14)23)16-4-2-15(3-5-16)8-11-25-21(20(24)26)9-12-27-13-10-21/h6-7,15-16,25H,2-5,8-13H2,1H3,(H2,24,26)
InChIKeyYOYHNPMEZAKBFR-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-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide (CID 155757728) is 4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is Cc1c(C2CCC(CCNC3(C(N)=O)CCOCC3)CC2)ccc(F)c1F.
What is the InChIKey of 4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
The InChIKey is YOYHNPMEZAKBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N2O2/c1-14-17(6-7-18(22)19(14)23)16-4-2-15(3-5-16)8-11-25-21(20(24)26)9-12-27-13-10-21/h6-7,15-16,25H,2-5,8-13H2,1H3,(H2,24,26).
What are the key properties of 4-[2-[4-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide?
4-[2-[4-(3,4-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-(3,4-difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 155757728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).