2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide

C34H34F4N2O4 — CID 90423274

IUPAC2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(OCc2ccccc2)ncc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C34H34F4N2O4/c1-4-43-30-17-32(44-20-22-8-6-5-7-9-22)39-19-27(30)26-13-10-23(14-29(26)35)15-31(42)40-25-12-11-24(18-33(2,3)21-41)28(16-25)34(36,37)38/h5-14,16-17,19,41H,4,15,18,20-21H2,1-3H3,(H,40,42)
InChIKeySESGOVCDHXFIJO-UHFFFAOYSA-N
MW610.65 g/mol
LogP7.63
Rot. Bonds12

About 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide

2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 90423274) has the molecular formula C34H34F4N2O4 and a molecular weight of 610.65 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID90423274
Molecular FormulaC34H34F4N2O4
Molecular Weight610.65 g/mol
Exact Mass610.25
IUPAC Name2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1cc(OCc2ccccc2)ncc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C34H34F4N2O4/c1-4-43-30-17-32(44-20-22-8-6-5-7-9-22)39-19-27(30)26-13-10-23(14-29(26)35)15-31(42)40-25-12-11-24(18-33(2,3)21-41)28(16-25)34(36,37)38/h5-14,16-17,19,41H,4,15,18,20-21H2,1-3H3,(H,40,42)
InChIKeySESGOVCDHXFIJO-UHFFFAOYSA-N
XLogP7.63
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.65
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide
CID 78427027
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100745829
2-[4-[5-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2,6-difluorophenyl]-N-[4-(2-phenylmethoxyethoxy)-3-(trifluoromethyl)phenyl]acetamide
CID 90416829
N-[4-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)phenyl]-2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetamide
CID 78427305
2-[4-[4-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
CID 90422423
2-[4-(6-butoxy-4-ethoxy-3-pyridinyl)-2-fluorophenyl]-N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 90435613
2-(4-ethoxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 24583920
1-[4-(5-ethoxy-4-oxocyclohexa-1,5-dien-1-yl)-2-fluorophenyl]-3-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]urea
CID 148672166
3-[[2-[4-[4-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)benzamide
CID 163362920
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
3-[[2-[4-[4-ethoxy-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-2-fluorophenyl]acetyl]amino]-N-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 163362811
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide (CID 90423274) is 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide is CCOc1cc(OCc2ccccc2)ncc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(C(F)(F)F)c2)cc1F.
What is the InChIKey of 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SESGOVCDHXFIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F4N2O4/c1-4-43-30-17-32(44-20-22-8-6-5-7-9-22)39-19-27(30)26-13-10-23(14-29(26)35)15-31(42)40-25-12-11-24(18-33(2,3)21-41)28(16-25)34(36,37)38/h5-14,16-17,19,41H,4,15,18,20-21H2,1-3H3,(H,40,42).
What are the key properties of 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 610.65 g/mol, XLogP of 7.63, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-6-phenylmethoxy-3-pyridinyl)-3-fluorophenyl]-N-[4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90423274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).