ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate

C25H24N2O5 — CID 94832125

IUPACethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C25H24N2O5/c1-3-31-25(29)19-10-12-20(13-11-19)26-16-18-8-14-21(15-9-18)32-17-24(28)27-22-6-4-5-7-23(22)30-2/h4-16H,3,17H2,1-2H3,(H,27,28)/b26-16+
InChIKeyGMSXPBUWWOLOIW-WGOQTCKBSA-N
MW432.48 g/mol
LogP4.64
Rot. Bonds9

About ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate

ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate (PubChem CID 94832125) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate
PubChem CID94832125
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Nameethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C25H24N2O5/c1-3-31-25(29)19-10-12-20(13-11-19)26-16-18-8-14-21(15-9-18)32-17-24(28)27-22-6-4-5-7-23(22)30-2/h4-16H,3,17H2,1-2H3,(H,27,28)/b26-16+
InChIKeyGMSXPBUWWOLOIW-WGOQTCKBSA-N
XLogP4.64
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 94832081
ethyl 4-[[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzoate
CID 94832120
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 767234
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
N-(2-methoxyphenyl)-2-[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 38052244
ethyl 4-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932374
ethyl 4-[[2-[(2Z)-2-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 94863679
N-tert-butyl-N'-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832293
2-(4-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
4-methoxy-N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012880
N-(2-methoxyphenyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24647330
N-(2-methoxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 6219592

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate?
The IUPAC name of ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate (CID 94832125) is ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate.
What is the SMILES notation for ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate?
The canonical SMILES for ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate is CCOC(=O)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate?
The InChIKey is GMSXPBUWWOLOIW-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-3-31-25(29)19-10-12-20(13-11-19)26-16-18-8-14-21(15-9-18)32-17-24(28)27-22-6-4-5-7-23(22)30-2/h4-16H,3,17H2,1-2H3,(H,27,28)/b26-16+.
What are the key properties of ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate?
ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate has a molecular weight of 432.48 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzoate is sourced from PubChem (CID 94832125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).