2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide

C20H24N2O5 — CID 3346221

IUPAC2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide
SMILESCCOc1ccc(CC(=O)NNC(=O)COc2ccccc2)cc1OCC
InChIInChI=1S/C20H24N2O5/c1-3-25-17-11-10-15(12-18(17)26-4-2)13-19(23)21-22-20(24)14-27-16-8-6-5-7-9-16/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLNRRGYXSVOCDAB-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.25
Rot. Bonds9

About 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide

2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide (PubChem CID 3346221) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide
PubChem CID3346221
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide
SMILESCCOc1ccc(CC(=O)NNC(=O)COc2ccccc2)cc1OCC
InChIInChI=1S/C20H24N2O5/c1-3-25-17-11-10-15(12-18(17)26-4-2)13-19(23)21-22-20(24)14-27-16-8-6-5-7-9-16/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLNRRGYXSVOCDAB-UHFFFAOYSA-N
XLogP2.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
2-(3,4-dimethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 7808998
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
N'-[2-(4-ethylphenoxy)acetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 2600997
4-ethoxy-3-methoxy-N'-(2-naphthalen-2-ylacetyl)benzohydrazide
CID 9439837
2-(4-chlorophenyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 31467291
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
2-[2-ethoxy-4-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30614052
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide (CID 3346221) is 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide is CCOc1ccc(CC(=O)NNC(=O)COc2ccccc2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide?
The InChIKey is LNRRGYXSVOCDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-25-17-11-10-15(12-18(17)26-4-2)13-19(23)21-22-20(24)14-27-16-8-6-5-7-9-16/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide?
2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide has a molecular weight of 372.42 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide is sourced from PubChem (CID 3346221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).