[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

C21H23FN2O6 — CID 7878245

IUPAC[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H23FN2O6/c1-28-17-8-3-14(11-18(17)29-2)9-10-23-19(25)13-30-20(26)12-24-21(27)15-4-6-16(22)7-5-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyCEYGUKFZMWCVNV-UHFFFAOYSA-N
MW418.42 g/mol
LogP1.47
Rot. Bonds10

About [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7878245) has the molecular formula C21H23FN2O6 and a molecular weight of 418.42 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7878245
Molecular FormulaC21H23FN2O6
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H23FN2O6/c1-28-17-8-3-14(11-18(17)29-2)9-10-23-19(25)13-30-20(26)12-24-21(27)15-4-6-16(22)7-5-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyCEYGUKFZMWCVNV-UHFFFAOYSA-N
XLogP1.47
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 5175769
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 4215523
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 2607192
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751609
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 16596470

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (CID 7878245) is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is COc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is CEYGUKFZMWCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O6/c1-28-17-8-3-14(11-18(17)29-2)9-10-23-19(25)13-30-20(26)12-24-21(27)15-4-6-16(22)7-5-15/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 418.42 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7878245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).