ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate

C25H24N2O6 — CID 15008323

IUPACethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)COc2ccccc2)cc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C25H24N2O6/c1-2-31-25(30)18-13-19(26-23(28)16-32-21-9-5-3-6-10-21)15-20(14-18)27-24(29)17-33-22-11-7-4-8-12-22/h3-15H,2,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyUQYAKXWGWIHWBE-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.90
Rot. Bonds10

About ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate

ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate (PubChem CID 15008323) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate
PubChem CID15008323
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Nameethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)COc2ccccc2)cc(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C25H24N2O6/c1-2-31-25(30)18-13-19(26-23(28)16-32-21-9-5-3-6-10-21)15-20(14-18)27-24(29)17-33-22-11-7-4-8-12-22/h3-15H,2,16-17H2,1H3,(H,26,28)(H,27,29)
InChIKeyUQYAKXWGWIHWBE-UHFFFAOYSA-N
XLogP3.90
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[2-[4-(2-phenylpropan-2-yl)phenoxy]acetyl]amino]benzoate
CID 19170913
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
ethyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 26636676
3-chloro-5-[(2-phenoxyacetyl)amino]benzamide
CID 154872841
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711605
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
ethyl 4-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate
CID 18905713

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate?
The IUPAC name of ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate (CID 15008323) is ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate.
What is the SMILES notation for ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate?
The canonical SMILES for ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate is CCOC(=O)c1cc(NC(=O)COc2ccccc2)cc(NC(=O)COc2ccccc2)c1.
What is the InChIKey of ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate?
The InChIKey is UQYAKXWGWIHWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-2-31-25(30)18-13-19(26-23(28)16-32-21-9-5-3-6-10-21)15-20(14-18)27-24(29)17-33-22-11-7-4-8-12-22/h3-15H,2,16-17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate?
ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate has a molecular weight of 448.48 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate is sourced from PubChem (CID 15008323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).