5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C13H23F3N2O2 — CID 107487338

IUPAC5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(CCO)CC(F)(F)F)CC1N
InChIInChI=1S/C13H23F3N2O2/c1-8-5-9(2)11(17)6-10(8)12(20)18(3-4-19)7-13(14,15)16/h8-11,19H,3-7,17H2,1-2H3
InChIKeyGEGMEKNWQPREPC-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.38
Rot. Bonds4

About 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 107487338) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID107487338
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(CCO)CC(F)(F)F)CC1N
InChIInChI=1S/C13H23F3N2O2/c1-8-5-9(2)11(17)6-10(8)12(20)18(3-4-19)7-13(14,15)16/h8-11,19H,3-7,17H2,1-2H3
InChIKeyGEGMEKNWQPREPC-UHFFFAOYSA-N
XLogP1.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 107487338) is 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CC(C)C(C(=O)N(CCO)CC(F)(F)F)CC1N.
What is the InChIKey of 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is GEGMEKNWQPREPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-8-5-9(2)11(17)6-10(8)12(20)18(3-4-19)7-13(14,15)16/h8-11,19H,3-7,17H2,1-2H3.
What are the key properties of 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107487338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).