diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate

C15H19NO5 — CID 174947834

IUPACdiethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate
SMILESCCOC(=O)C(/N=C(\C)c1ccccc1O)C(=O)OCC
InChIInChI=1S/C15H19NO5/c1-4-20-14(18)13(15(19)21-5-2)16-10(3)11-8-6-7-9-12(11)17/h6-9,13,17H,4-5H2,1-3H3/b16-10+
InChIKeyCIFJSUYDPSETCP-MHWRWJLKSA-N
MW293.32 g/mol
LogP1.70
Rot. Bonds6

About diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate

diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate (PubChem CID 174947834) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate
PubChem CID174947834
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namediethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate
SMILESCCOC(=O)C(/N=C(\C)c1ccccc1O)C(=O)OCC
InChIInChI=1S/C15H19NO5/c1-4-20-14(18)13(15(19)21-5-2)16-10(3)11-8-6-7-9-12(11)17/h6-9,13,17H,4-5H2,1-3H3/b16-10+
InChIKeyCIFJSUYDPSETCP-MHWRWJLKSA-N
XLogP1.70
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381
2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate
CID 135692474
diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate
CID 3619400
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
2-[(E)-N-[2-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxyethoxy]-C-methylcarbonimidoyl]phenol
CID 139073697
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate
CID 70437866
dipropyl 2-[1-(3-phenoxyphenyl)ethylideneamino]propanedioate
CID 156787681
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate?
The IUPAC name of diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate (CID 174947834) is diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate.
What is the SMILES notation for diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate?
The canonical SMILES for diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate is CCOC(=O)C(/N=C(\C)c1ccccc1O)C(=O)OCC.
What is the InChIKey of diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate?
The InChIKey is CIFJSUYDPSETCP-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-20-14(18)13(15(19)21-5-2)16-10(3)11-8-6-7-9-12(11)17/h6-9,13,17H,4-5H2,1-3H3/b16-10+.
What are the key properties of diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate?
diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate has a molecular weight of 293.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[1-(2-hydroxyphenyl)ethylideneamino]propanedioate is sourced from PubChem (CID 174947834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).