ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate

C15H19NO5 — CID 11709102

IUPACethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1ccc(C=O)cc1
InChIInChI=1S/C15H19NO5/c1-3-20-14(18)9-16(10-15(19)21-4-2)13-7-5-12(11-17)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyCFFAZBPIXGJMKN-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.43
Rot. Bonds8

About ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate

ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate (PubChem CID 11709102) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
PubChem CID11709102
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Nameethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1ccc(C=O)cc1
InChIInChI=1S/C15H19NO5/c1-3-20-14(18)9-16(10-15(19)21-4-2)13-7-5-12(11-17)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyCFFAZBPIXGJMKN-UHFFFAOYSA-N
XLogP1.43
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
CID 146802367
ethyl 2-(N-ethyl-4-sulfamoylanilino)acetate
CID 62006834
ethyl 2-(N-ethyl-4-ethylsulfinylanilino)acetate
CID 134176388
ethyl 2-(4-formyl-N-methylanilino)propanoate
CID 12038866
ethyl 2-(N-ethyl-4-propylsulfonylanilino)acetate
CID 62006448
ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
CID 91744199
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
2-[4-formyl-N-(2-methylpropyl)anilino]acetamide
CID 55003104
ethyl 2-(4-carbamothioyl-N-ethyl-3-methylanilino)acetate
CID 81276651
4-(dibutylamino)benzaldehyde
CID 605391
1-(N-ethyl-4-formylanilino)propan-2-yl acetate
CID 54221384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate?
The IUPAC name of ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate (CID 11709102) is ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate?
The canonical SMILES for ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate is CCOC(=O)CN(CC(=O)OCC)c1ccc(C=O)cc1.
What is the InChIKey of ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate?
The InChIKey is CFFAZBPIXGJMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-20-14(18)9-16(10-15(19)21-4-2)13-7-5-12(11-17)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate?
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate has a molecular weight of 293.32 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate is sourced from PubChem (CID 11709102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).