3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide

C21H23F3N2O4 — CID 108933802

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C21H23F3N2O4/c1-3-30-17-10-6-14(12-18(17)29-2)7-11-19(27)26-16-8-4-15(5-9-16)13-25-20(28)21(22,23)24/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyYFMOFJGQHHZUBN-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.84
Rot. Bonds9

About 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide

3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (PubChem CID 108933802) has the molecular formula C21H23F3N2O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
PubChem CID108933802
Molecular FormulaC21H23F3N2O4
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C21H23F3N2O4/c1-3-30-17-10-6-14(12-18(17)29-2)7-11-19(27)26-16-8-4-15(5-9-16)13-25-20(28)21(22,23)24/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyYFMOFJGQHHZUBN-UHFFFAOYSA-N
XLogP3.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide with MolForge

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Related Compounds

tert-butyl N-[3-[4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920582
3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide
CID 19221776
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221846
4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonic acid
CID 4143684
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108933641
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730938
tert-butyl N-[3-[[3-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921357
tert-butyl N-[2-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917695
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide (CID 108933802) is 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is CCOc1ccc(CCC(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
The InChIKey is YFMOFJGQHHZUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4/c1-3-30-17-10-6-14(12-18(17)29-2)7-11-19(27)26-16-8-4-15(5-9-16)13-25-20(28)21(22,23)24/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide?
3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide has a molecular weight of 424.42 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 108933802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).