N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide

C14H24F3NO — CID 58394758

IUPACN-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)C1CCC(CC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c1-10(2)12-6-4-11(5-7-12)8-13(19)18(3)9-14(15,16)17/h10-12H,4-9H2,1-3H3
InChIKeyGRRCYSXJTOVZEC-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.86
Rot. Bonds4

About N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58394758) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58394758
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)C1CCC(CC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO/c1-10(2)12-6-4-11(5-7-12)8-13(19)18(3)9-14(15,16)17/h10-12H,4-9H2,1-3H3
InChIKeyGRRCYSXJTOVZEC-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 58394758) is N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)C1CCC(CC(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GRRCYSXJTOVZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10(2)12-6-4-11(5-7-12)8-13(19)18(3)9-14(15,16)17/h10-12H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propan-2-ylcyclohexyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58394758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).