[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

C14H15FN2O6 — CID 7877735

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESCCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O6/c1-2-22-14(21)17-11(18)8-23-12(19)7-16-13(20)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyZUWWLYFYSATVEI-UHFFFAOYSA-N
MW326.28 g/mol
LogP0.37
Rot. Bonds6

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7877735) has the molecular formula C14H15FN2O6 and a molecular weight of 326.28 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7877735
Molecular FormulaC14H15FN2O6
Molecular Weight326.28 g/mol
Exact Mass326.09
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESCCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O6/c1-2-22-14(21)17-11(18)8-23-12(19)7-16-13(20)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,16,20)(H,17,18,21)
InChIKeyZUWWLYFYSATVEI-UHFFFAOYSA-N
XLogP0.37
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885139
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881303
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878278
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 4842902
ethyl 2-[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 7878232
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 2429318
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878245

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (CID 7877735) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is CCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is ZUWWLYFYSATVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O6/c1-2-22-14(21)17-11(18)8-23-12(19)7-16-13(20)9-3-5-10(15)6-4-9/h3-6H,2,7-8H2,1H3,(H,16,20)(H,17,18,21).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 326.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7877735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).