N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide

C12H19F3N2O2 — CID 103865000

IUPACN-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
SMILESCN(C(=O)CN(CCO)CC(F)(F)F)C1=CCCC1
InChIInChI=1S/C12H19F3N2O2/c1-16(10-4-2-3-5-10)11(19)8-17(6-7-18)9-12(13,14)15/h4,18H,2-3,5-9H2,1H3
InChIKeyUDIQSUUOEZZVMF-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.37
Rot. Bonds6

About N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide

N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide (PubChem CID 103865000) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
PubChem CID103865000
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
SMILESCN(C(=O)CN(CCO)CC(F)(F)F)C1=CCCC1
InChIInChI=1S/C12H19F3N2O2/c1-16(10-4-2-3-5-10)11(19)8-17(6-7-18)9-12(13,14)15/h4,18H,2-3,5-9H2,1H3
InChIKeyUDIQSUUOEZZVMF-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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
N-(cyclohexen-1-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-ethylacetamide
CID 107485682
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442341
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442661
2-[[2-[Cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 54900285
2-[[2-[Cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 54900337

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide?
The IUPAC name of N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide (CID 103865000) is N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide is CN(C(=O)CN(CCO)CC(F)(F)F)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide?
The InChIKey is UDIQSUUOEZZVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-16(10-4-2-3-5-10)11(19)8-17(6-7-18)9-12(13,14)15/h4,18H,2-3,5-9H2,1H3.
What are the key properties of N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide?
N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide has a molecular weight of 280.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide is sourced from PubChem (CID 103865000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).