4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-[4-fluoro-3-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane

C32H40F5N3O6 — CID 144796031

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-[4-fluoro-3-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane
SMILESCC.CC.COc1cc(C(=O)NCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)CF)c3)n2)C(F)(F)F)ccc1OCC(N)=O
InChIInChI=1S/C28H28F5N3O6.2C2H6/c1-15(12-29)18-10-16(4-6-19(18)30)25-21(40-2)8-9-23(36-25)27(39,28(31,32)33)14-35-26(38)17-5-7-20(22(11-17)41-3)42-13-24(34)37;2*1-2/h4-11,15,39H,12-14H2,1-3H3,(H2,34,37)(H,35,38);2*1-2H3
InChIKeyTUBZOTMSIWHQNK-UHFFFAOYSA-N
MW657.68 g/mol
LogP6.07
Rot. Bonds12

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-[4-fluoro-3-(1-fluoropropan-2-yl)phenyl]-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-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane (PubChem CID 144796031) has the molecular formula C32H40F5N3O6 and a molecular weight of 657.68 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-[4-fluoro-3-(1-fluoropropan-2-yl)phenyl]-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-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane
PubChem CID144796031
Molecular FormulaC32H40F5N3O6
Molecular Weight657.68 g/mol
Exact Mass657.28
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-[4-fluoro-3-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane
SMILESCC.CC.COc1cc(C(=O)NCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)CF)c3)n2)C(F)(F)F)ccc1OCC(N)=O
InChIInChI=1S/C28H28F5N3O6.2C2H6/c1-15(12-29)18-10-16(4-6-19(18)30)25-21(40-2)8-9-23(36-25)27(39,28(31,32)33)14-35-26(38)17-5-7-20(22(11-17)41-3)42-13-24(34)37;2*1-2/h4-11,15,39H,12-14H2,1-3H3,(H2,34,37)(H,35,38);2*1-2H3
InChIKeyTUBZOTMSIWHQNK-UHFFFAOYSA-N
XLogP6.07
TPSA133.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.68
LogP ≤ 56.07
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-(1-fluoropropan-2-yl)phenyl]-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
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
US11420976, Example 51
CID 163884105
US11420976, Example 7
CID 165436682

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-(1-fluoropropan-2-yl)phenyl]-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-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane (CID 144796031) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-[4-fluoro-3-(1-fluoropropan-2-yl)phenyl]-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-(1-fluoropropan-2-yl)phenyl]-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-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane is CC.CC.COc1cc(C(=O)NCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)CF)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-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane?
The InChIKey is TUBZOTMSIWHQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F5N3O6.2C2H6/c1-15(12-29)18-10-16(4-6-19(18)30)25-21(40-2)8-9-23(36-25)27(39,28(31,32)33)14-35-26(38)17-5-7-20(22(11-17)41-3)42-13-24(34)37;2*1-2/h4-11,15,39H,12-14H2,1-3H3,(H2,34,37)(H,35,38);2*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-(1-fluoropropan-2-yl)phenyl]-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-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane has a molecular weight of 657.68 g/mol, XLogP of 6.07, 12 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-(1-fluoropropan-2-yl)phenyl]-5-methoxy-2-pyridinyl]-2-hydroxypropyl]benzamide;ethane is sourced from PubChem (CID 144796031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).