N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

C13H21F3N2O2 — CID 78882420

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C13H21F3N2O2/c1-17(2)11(19)8-18(9-13(14,15)16)12(20)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyKDRVUNINPVDUKZ-UHFFFAOYSA-N
MW294.32 g/mol
LogP2.05
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (PubChem CID 78882420) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
PubChem CID78882420
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CCCCC1
InChIInChI=1S/C13H21F3N2O2/c1-17(2)11(19)8-18(9-13(14,15)16)12(20)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyKDRVUNINPVDUKZ-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide (CID 78882420) is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CCCCC1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
The InChIKey is KDRVUNINPVDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-17(2)11(19)8-18(9-13(14,15)16)12(20)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide has a molecular weight of 294.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide is sourced from PubChem (CID 78882420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).