N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide

C12H19F3N2O2 — CID 62726524

IUPACN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CC(=O)N(C)C1CCCCC1)C(=O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-16(11(19)12(13,14)15)8-10(18)17(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyQQUPVLJJFGWXLO-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.80
Rot. Bonds3

About N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62726524) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID62726524
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CC(=O)N(C)C1CCCCC1)C(=O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O2/c1-16(11(19)12(13,14)15)8-10(18)17(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyQQUPVLJJFGWXLO-UHFFFAOYSA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide (CID 62726524) is N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide is CN(CC(=O)N(C)C1CCCCC1)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is QQUPVLJJFGWXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-16(11(19)12(13,14)15)8-10(18)17(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3.
What are the key properties of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 280.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62726524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).