2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C16H20N3O6- — CID 8990059

IUPAC2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)[O-])c(OCC)c1
InChIInChI=1S/C16H21N3O6/c1-3-7-17-15(22)16(23)19-18-9-11-5-6-12(25-10-14(20)21)13(8-11)24-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,22)(H,19,23)(H,20,21)/p-1/b18-9-
InChIKeyKZDXBSPNNKBNCE-NVMNQCDNSA-M
MW350.35 g/mol
LogP-0.81
Rot. Bonds9

About 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate

2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 8990059) has the molecular formula C16H20N3O6- and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID8990059
Molecular FormulaC16H20N3O6-
Molecular Weight350.35 g/mol
Exact Mass350.14
IUPAC Name2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)[O-])c(OCC)c1
InChIInChI=1S/C16H21N3O6/c1-3-7-17-15(22)16(23)19-18-9-11-5-6-12(25-10-14(20)21)13(8-11)24-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,22)(H,19,23)(H,20,21)/p-1/b18-9-
InChIKeyKZDXBSPNNKBNCE-NVMNQCDNSA-M
XLogP-0.81
TPSA129.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate with MolForge

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Related Compounds

N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126177239
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-propyloxamide
CID 126162386
2-[4-[(Z)-[[2-(butylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-chlorophenoxy]acetate
CID 8989815
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-propyloxamide
CID 8989086
4-ethoxy-3-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 8898253
N-butyl-N'-[(Z)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126167062
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
N-butyl-N'-[(Z)-[3-ethoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126164329
N-butyl-N'-[(Z)-[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126172008
N-butyl-N'-[(Z)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 126158498

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 8990059) is 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate is CCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)[O-])c(OCC)c1.
What is the InChIKey of 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is KZDXBSPNNKBNCE-NVMNQCDNSA-M. The full InChI is InChI=1S/C16H21N3O6/c1-3-7-17-15(22)16(23)19-18-9-11-5-6-12(25-10-14(20)21)13(8-11)24-4-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,22)(H,19,23)(H,20,21)/p-1/b18-9-.
What are the key properties of 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 350.35 g/mol, XLogP of -0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 8990059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).