2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C15H25F3N2O — CID 78841077

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESC=C(C)CN(CC)CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O/c1-4-20(9-11(2)3)10-14(21)19-13-7-5-6-12(8-13)15(16,17)18/h12-13H,2,4-10H2,1,3H3,(H,19,21)
InChIKeyYTDHAFDRIGCVHL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.12
Rot. Bonds6

About 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 78841077) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID78841077
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESC=C(C)CN(CC)CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O/c1-4-20(9-11(2)3)10-14(21)19-13-7-5-6-12(8-13)15(16,17)18/h12-13H,2,4-10H2,1,3H3,(H,19,21)
InChIKeyYTDHAFDRIGCVHL-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 78841077) is 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide is C=C(C)CN(CC)CC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is YTDHAFDRIGCVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-4-20(9-11(2)3)10-14(21)19-13-7-5-6-12(8-13)15(16,17)18/h12-13H,2,4-10H2,1,3H3,(H,19,21).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 78841077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).