3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide

C22H25F3N2O5 — CID 38073078

IUPAC3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1OCC
InChIInChI=1S/C22H25F3N2O5/c1-4-30-18-11-10-15(12-19(18)31-5-2)21(29)26-13-20(28)27(3)14-16-8-6-7-9-17(16)32-22(23,24)25/h6-12H,4-5,13-14H2,1-3H3,(H,26,29)
InChIKeyZIDYFGPGZBFIOD-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.77
Rot. Bonds10

About 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide (PubChem CID 38073078) has the molecular formula C22H25F3N2O5 and a molecular weight of 454.45 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide
PubChem CID38073078
Molecular FormulaC22H25F3N2O5
Molecular Weight454.45 g/mol
Exact Mass454.17
IUPAC Name3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1OCC
InChIInChI=1S/C22H25F3N2O5/c1-4-30-18-11-10-15(12-19(18)31-5-2)21(29)26-13-20(28)27(3)14-16-8-6-7-9-17(16)32-22(23,24)25/h6-12H,4-5,13-14H2,1-3H3,(H,26,29)
InChIKeyZIDYFGPGZBFIOD-UHFFFAOYSA-N
XLogP3.77
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 134046635
1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 112812859
3,4-diethoxy-N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]benzamide
CID 51164219
N-[2-[(2-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 51087801
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075934
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide (CID 38073078) is 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZIDYFGPGZBFIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O5/c1-4-30-18-11-10-15(12-19(18)31-5-2)21(29)26-13-20(28)27(3)14-16-8-6-7-9-17(16)32-22(23,24)25/h6-12H,4-5,13-14H2,1-3H3,(H,26,29).
What are the key properties of 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 454.45 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 38073078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).