4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C14H25F3N2O2 — CID 102628554

IUPAC4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N(CCO)CC(F)(F)F)C1(C)C
InChIInChI=1S/C14H25F3N2O2/c1-9-11(18)5-4-10(13(9,2)3)12(21)19(6-7-20)8-14(15,16)17/h9-11,20H,4-8,18H2,1-3H3
InChIKeyRFJZPSORWGMSEY-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.77
Rot. Bonds4

About 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 102628554) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID102628554
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N(CCO)CC(F)(F)F)C1(C)C
InChIInChI=1S/C14H25F3N2O2/c1-9-11(18)5-4-10(13(9,2)3)12(21)19(6-7-20)8-14(15,16)17/h9-11,20H,4-8,18H2,1-3H3
InChIKeyRFJZPSORWGMSEY-UHFFFAOYSA-N
XLogP1.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 102628554) is 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)N(CCO)CC(F)(F)F)C1(C)C.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is RFJZPSORWGMSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-9-11(18)5-4-10(13(9,2)3)12(21)19(6-7-20)8-14(15,16)17/h9-11,20H,4-8,18H2,1-3H3.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102628554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).