ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide

C15H23F3N2O4 — CID 162722759

IUPACethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide
SMILESCC.COC.O=Cc1ccc(C(O)CCNC(=O)C(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O3.C2H6O.C2H6/c12-11(13,14)10(19)15-4-3-9(18)8-2-1-7(6-17)5-16-8;1-3-2;1-2/h1-2,5-6,9,18H,3-4H2,(H,15,19);1-2H3;1-2H3
InChIKeyXNTABUWIOVBYDA-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.28
Rot. Bonds5

About ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide

ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide (PubChem CID 162722759) has the molecular formula C15H23F3N2O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide.

Molecular Properties

Compound Nameethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide
PubChem CID162722759
Molecular FormulaC15H23F3N2O4
Molecular Weight352.35 g/mol
Exact Mass352.16
IUPAC Nameethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide
SMILESCC.COC.O=Cc1ccc(C(O)CCNC(=O)C(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O3.C2H6O.C2H6/c12-11(13,14)10(19)15-4-3-9(18)8-2-1-7(6-17)5-16-8;1-3-2;1-2/h1-2,5-6,9,18H,3-4H2,(H,15,19);1-2H3;1-2H3
InChIKeyXNTABUWIOVBYDA-UHFFFAOYSA-N
XLogP2.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(5-bromo-2-pyridinyl)-3-hydroxypropyl]carbamate
CID 86713197
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823749
6-(1,2,4-trihydroxybutyl)pyridine-3-carbaldehyde
CID 171872080
2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 131127978
2,2,2-trifluoro-N-[3-hydroxy-3-(3-iodophenyl)propyl]acetamide;hydroiodide
CID 87084540
N-[3-(3-bromo-4-fluorophenyl)-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 86628462
(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 90244607
N-[2-(2,6-dimethylphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide;ethane
CID 91382909
N-[3-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-ynyl]phenyl]-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 87600220
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622
methyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885304

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide?
The IUPAC name of ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide (CID 162722759) is ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide.
What is the SMILES notation for ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide?
The canonical SMILES for ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide is CC.COC.O=Cc1ccc(C(O)CCNC(=O)C(F)(F)F)nc1.
What is the InChIKey of ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide?
The InChIKey is XNTABUWIOVBYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3.C2H6O.C2H6/c12-11(13,14)10(19)15-4-3-9(18)8-2-1-7(6-17)5-16-8;1-3-2;1-2/h1-2,5-6,9,18H,3-4H2,(H,15,19);1-2H3;1-2H3.
What are the key properties of ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide?
ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide has a molecular weight of 352.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;2,2,2-trifluoro-N-[3-(5-formyl-2-pyridinyl)-3-hydroxypropyl]acetamide is sourced from PubChem (CID 162722759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).