N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide

C14H24F2N2O2 — CID 107485682

IUPACN-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
SMILESCCN(C(=O)CN(CCO)CC(F)F)C1=CCCCC1
InChIInChI=1S/C14H24F2N2O2/c1-2-18(12-6-4-3-5-7-12)14(20)11-17(8-9-19)10-13(15)16/h6,13,19H,2-5,7-11H2,1H3
InChIKeyZOTSIYKDPYQGSF-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.85
Rot. Bonds8

About N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide

N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide (PubChem CID 107485682) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
PubChem CID107485682
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC NameN-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
SMILESCCN(C(=O)CN(CCO)CC(F)F)C1=CCCCC1
InChIInChI=1S/C14H24F2N2O2/c1-2-18(12-6-4-3-5-7-12)14(20)11-17(8-9-19)10-13(15)16/h6,13,19H,2-5,7-11H2,1H3
InChIKeyZOTSIYKDPYQGSF-UHFFFAOYSA-N
XLogP1.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexen-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide
CID 53531645
N-(cyclohexen-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-propylacetamide
CID 53619610
N-(cyclohexen-1-yl)-N-ethyl-2-[4-(2-hydroxypropyl)piperazin-1-yl]acetamide
CID 53619834
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258853
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262231
N-(cyclopenten-1-yl)-N-ethyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103864828
N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 103865000
N-(cyclohexen-1-yl)-N-ethyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 103865019
N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 107485088
N-(cyclopenten-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 107485411
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107485499
2-[[2-[Cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442385

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The IUPAC name of N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide (CID 107485682) is N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide is CCN(C(=O)CN(CCO)CC(F)F)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The InChIKey is ZOTSIYKDPYQGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-2-18(12-6-4-3-5-7-12)14(20)11-17(8-9-19)10-13(15)16/h6,13,19H,2-5,7-11H2,1H3.
What are the key properties of N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide?
N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide has a molecular weight of 290.35 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide is sourced from PubChem (CID 107485682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).