N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide

C21H22N2O5 — CID 18159262

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C21H22N2O5/c1-3-26-17-6-4-5-7-18(17)28-13-21(25)23-22-20(24)11-15-12-27-19-10-14(2)8-9-16(15)19/h4-10,12H,3,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyTYCPOCDVCZDSPM-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.91
Rot. Bonds7

About N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide (PubChem CID 18159262) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
PubChem CID18159262
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C21H22N2O5/c1-3-26-17-6-4-5-7-18(17)28-13-21(25)23-22-20(24)11-15-12-27-19-10-14(2)8-9-16(15)19/h4-10,12H,3,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyTYCPOCDVCZDSPM-UHFFFAOYSA-N
XLogP2.91
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.91
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'-[2-(4-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18158747
N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 4544204
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872216
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 18872422
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9470559
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18872423
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525179
N-(2-chlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2600753

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide (CID 18159262) is N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is TYCPOCDVCZDSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-3-26-17-6-4-5-7-18(17)28-13-21(25)23-22-20(24)11-15-12-27-19-10-14(2)8-9-16(15)19/h4-10,12H,3,11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 382.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 18159262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).