ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate

C26H26N2O7 — CID 102225133

IUPACethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(c1ccc(O)c(OC)c1)N(C(=O)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C26H26N2O7/c1-3-35-23(31)16-27-25(32)24(18-9-14-21(30)22(15-18)34-2)28(19-10-12-20(29)13-11-19)26(33)17-7-5-4-6-8-17/h4-15,24,29-30H,3,16H2,1-2H3,(H,27,32)
InChIKeyIPMQGHJGWFEPBU-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.17
Rot. Bonds9

About ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate

ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate (PubChem CID 102225133) has the molecular formula C26H26N2O7 and a molecular weight of 478.50 g/mol. Its IUPAC name is ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate
PubChem CID102225133
Molecular FormulaC26H26N2O7
Molecular Weight478.50 g/mol
Exact Mass478.17
IUPAC Nameethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(c1ccc(O)c(OC)c1)N(C(=O)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C26H26N2O7/c1-3-35-23(31)16-27-25(32)24(18-9-14-21(30)22(15-18)34-2)28(19-10-12-20(29)13-11-19)26(33)17-7-5-4-6-8-17/h4-15,24,29-30H,3,16H2,1-2H3,(H,27,32)
InChIKeyIPMQGHJGWFEPBU-UHFFFAOYSA-N
XLogP3.17
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate (CID 102225133) is ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate is CCOC(=O)CNC(=O)C(c1ccc(O)c(OC)c1)N(C(=O)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate?
The InChIKey is IPMQGHJGWFEPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O7/c1-3-35-23(31)16-27-25(32)24(18-9-14-21(30)22(15-18)34-2)28(19-10-12-20(29)13-11-19)26(33)17-7-5-4-6-8-17/h4-15,24,29-30H,3,16H2,1-2H3,(H,27,32).
What are the key properties of ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate?
ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate has a molecular weight of 478.50 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(N-benzoyl-4-hydroxyanilino)-2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]acetate is sourced from PubChem (CID 102225133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).