2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H24F3N3O2 — CID 71989850

IUPAC2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NC(=O)NCC(=O)N(C)CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H24F3N3O2/c1-10(11-6-4-3-5-7-11)19-13(22)18-8-12(21)20(2)9-14(15,16)17/h10-11H,3-9H2,1-2H3,(H2,18,19,22)
InChIKeySNWTXUFCNKOPLM-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.28
Rot. Bonds5

About 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71989850) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71989850
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(NC(=O)NCC(=O)N(C)CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H24F3N3O2/c1-10(11-6-4-3-5-7-11)19-13(22)18-8-12(21)20(2)9-14(15,16)17/h10-11H,3-9H2,1-2H3,(H2,18,19,22)
InChIKeySNWTXUFCNKOPLM-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71989850) is 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CC(NC(=O)NCC(=O)N(C)CC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SNWTXUFCNKOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-10(11-6-4-3-5-7-11)19-13(22)18-8-12(21)20(2)9-14(15,16)17/h10-11H,3-9H2,1-2H3,(H2,18,19,22).
What are the key properties of 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71989850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).