4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane

C28H31F4N3O6 — CID 144796207

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane
SMILESCC.COc1cc(C(=O)NCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O
InChIInChI=1S/C26H25F4N3O6.C2H6/c1-14-10-15(4-6-17(14)27)23-19(37-2)8-9-21(33-23)25(36,26(28,29)30)13-32-24(35)16-5-7-18(20(11-16)38-3)39-12-22(31)34;1-2/h4-11,36H,12-13H2,1-3H3,(H2,31,34)(H,32,35);1-2H3
InChIKeyJFCRXEOVIOHRMX-UHFFFAOYSA-N
MW581.56 g/mol
LogP4.28
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane

4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane (PubChem CID 144796207) has the molecular formula C28H31F4N3O6 and a molecular weight of 581.56 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane
PubChem CID144796207
Molecular FormulaC28H31F4N3O6
Molecular Weight581.56 g/mol
Exact Mass581.21
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane
SMILESCC.COc1cc(C(=O)NCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O
InChIInChI=1S/C26H25F4N3O6.C2H6/c1-14-10-15(4-6-17(14)27)23-19(37-2)8-9-21(33-23)25(36,26(28,29)30)13-32-24(35)16-5-7-18(20(11-16)38-3)39-12-22(31)34;1-2/h4-11,36H,12-13H2,1-3H3,(H2,31,34)(H,32,35);1-2H3
InChIKeyJFCRXEOVIOHRMX-UHFFFAOYSA-N
XLogP4.28
TPSA133.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.56
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane with MolForge

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Related Compounds

N-[(2R)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 122502998
US11072585, Example 91
CID 122536439
[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]-4-phenylmethoxyphenyl]-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
CID 132253037
US11420976, Example 14
CID 156809848
US11420976, Example 21
CID 156809861
US11420976, Example 15
CID 156809873
US11420976, Example 3
CID 156809883
US11420976, Example 27
CID 156809893
US11420976, Example 1
CID 156809900
US11420976, Example 24
CID 156809936
US11420976, Example 9
CID 158470136
US11420976, Example 13
CID 162459431

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane (CID 144796207) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane is CC.COc1cc(C(=O)NCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane?
The InChIKey is JFCRXEOVIOHRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N3O6.C2H6/c1-14-10-15(4-6-17(14)27)23-19(37-2)8-9-21(33-23)25(36,26(28,29)30)13-32-24(35)16-5-7-18(20(11-16)38-3)39-12-22(31)34;1-2/h4-11,36H,12-13H2,1-3H3,(H2,31,34)(H,32,35);1-2H3.
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane has a molecular weight of 581.56 g/mol, XLogP of 4.28, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane is sourced from PubChem (CID 144796207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).