N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide

C12H21F3N2O — CID 56788606

IUPACN-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC1CCC(NC(=O)CN(C)CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-9-3-5-10(6-4-9)16-11(18)7-17(2)8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyXXGRKXWQUMTUQD-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide

N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 56788606) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID56788606
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCC1CCC(NC(=O)CN(C)CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-9-3-5-10(6-4-9)16-11(18)7-17(2)8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyXXGRKXWQUMTUQD-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide (CID 56788606) is N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide is CC1CCC(NC(=O)CN(C)CC(F)(F)F)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is XXGRKXWQUMTUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9-3-5-10(6-4-9)16-11(18)7-17(2)8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 56788606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).