N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide

C17H22F3NO5 — CID 119036778

IUPACN-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
SMILESCOCC(NC(=O)COc1ccccc1OCC(F)(F)F)C1CCCO1
InChIInChI=1S/C17H22F3NO5/c1-23-9-12(13-7-4-8-24-13)21-16(22)10-25-14-5-2-3-6-15(14)26-11-17(18,19)20/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,21,22)
InChIKeyVRQDQJOKYDFBOP-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.32
Rot. Bonds9

About N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide

N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide (PubChem CID 119036778) has the molecular formula C17H22F3NO5 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
PubChem CID119036778
Molecular FormulaC17H22F3NO5
Molecular Weight377.36 g/mol
Exact Mass377.15
IUPAC NameN-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
SMILESCOCC(NC(=O)COc1ccccc1OCC(F)(F)F)C1CCCO1
InChIInChI=1S/C17H22F3NO5/c1-23-9-12(13-7-4-8-24-13)21-16(22)10-25-14-5-2-3-6-15(14)26-11-17(18,19)20/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,21,22)
InChIKeyVRQDQJOKYDFBOP-UHFFFAOYSA-N
XLogP2.32
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 119036775
N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide
CID 100735557
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533761
2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124606330
4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide
CID 154846082
N-[1-(oxolan-2-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 6468778
4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide
CID 129479879
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 82833696
(2S)-3-phenyl-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]propanoic acid
CID 119366611
N-piperidin-3-yl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119425290
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(oxolan-2-yl)ethanamine
CID 119106728
N-(2-amino-1-cyclopropylethyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119612699

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide?
The IUPAC name of N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide (CID 119036778) is N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide?
The canonical SMILES for N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide is COCC(NC(=O)COc1ccccc1OCC(F)(F)F)C1CCCO1.
What is the InChIKey of N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide?
The InChIKey is VRQDQJOKYDFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO5/c1-23-9-12(13-7-4-8-24-13)21-16(22)10-25-14-5-2-3-6-15(14)26-11-17(18,19)20/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,21,22).
What are the key properties of N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide?
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide has a molecular weight of 377.36 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide is sourced from PubChem (CID 119036778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).