4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate

C15H18N3O5- — CID 8898253

IUPAC4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate
SMILESCCCNC(=O)C(=O)N/N=C\c1cc(C(=O)[O-])ccc1OCC
InChIInChI=1S/C15H19N3O5/c1-3-7-16-13(19)14(20)18-17-9-11-8-10(15(21)22)5-6-12(11)23-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,18,20)(H,21,22)/p-1/b17-9-
InChIKeyIPXWXQBQWXUDRJ-MFOYZWKCSA-M
MW320.33 g/mol
LogP-0.57
Rot. Bonds7

About 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate

4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 8898253) has the molecular formula C15H18N3O5- and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID8898253
Molecular FormulaC15H18N3O5-
Molecular Weight320.33 g/mol
Exact Mass320.13
IUPAC Name4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate
SMILESCCCNC(=O)C(=O)N/N=C\c1cc(C(=O)[O-])ccc1OCC
InChIInChI=1S/C15H19N3O5/c1-3-7-16-13(19)14(20)18-17-9-11-8-10(15(21)22)5-6-12(11)23-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,18,20)(H,21,22)/p-1/b17-9-
InChIKeyIPXWXQBQWXUDRJ-MFOYZWKCSA-M
XLogP-0.57
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 8898254
4-ethoxy-3-[(Z)-[[2-oxo-2-(2-phenylethylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 8898189
4-ethoxy-3-[(Z)-[[2-(2-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8898414
2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8990059
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8931387
4-ethoxy-3-[(Z)-[[2-oxo-2-(4-propoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 8898347
N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-propyloxamide
CID 8902643
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
CID 8989086
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
4-[[4-chloro-2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 8989436
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931109

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate (CID 8898253) is 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate is CCCNC(=O)C(=O)N/N=C\c1cc(C(=O)[O-])ccc1OCC.
What is the InChIKey of 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is IPXWXQBQWXUDRJ-MFOYZWKCSA-M. The full InChI is InChI=1S/C15H19N3O5/c1-3-7-16-13(19)14(20)18-17-9-11-8-10(15(21)22)5-6-12(11)23-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,19)(H,18,20)(H,21,22)/p-1/b17-9-.
What are the key properties of 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate?
4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 320.33 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8898253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).