4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C18H30F3NO2 — CID 90554694

IUPAC4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CC(F)(F)F)C2CCOCC2)CC1
InChIInChI=1S/C18H30F3NO2/c1-2-3-4-14-5-7-15(8-6-14)17(23)22(13-18(19,20)21)16-9-11-24-12-10-16/h14-16H,2-13H2,1H3
InChIKeyCFLBZVUGAYSTPY-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.55
Rot. Bonds6

About 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 90554694) has the molecular formula C18H30F3NO2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID90554694
Molecular FormulaC18H30F3NO2
Molecular Weight349.44 g/mol
Exact Mass349.22
IUPAC Name4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CC(F)(F)F)C2CCOCC2)CC1
InChIInChI=1S/C18H30F3NO2/c1-2-3-4-14-5-7-15(8-6-14)17(23)22(13-18(19,20)21)16-9-11-24-12-10-16/h14-16H,2-13H2,1H3
InChIKeyCFLBZVUGAYSTPY-UHFFFAOYSA-N
XLogP4.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 90554694) is 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CC(F)(F)F)C2CCOCC2)CC1.
What is the InChIKey of 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is CFLBZVUGAYSTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3NO2/c1-2-3-4-14-5-7-15(8-6-14)17(23)22(13-18(19,20)21)16-9-11-24-12-10-16/h14-16H,2-13H2,1H3.
What are the key properties of 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 90554694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).