2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide

C19H18N2O4 — CID 18872422

IUPAC2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
SMILESCc1ccc2occ(CC(=O)NNC(=O)COc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O4/c1-13-7-8-17-16(9-13)14(11-25-17)10-18(22)20-21-19(23)12-24-15-5-3-2-4-6-15/h2-9,11H,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyNWSOGADXUSXRQC-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.51
Rot. Bonds5

About 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide

2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide (PubChem CID 18872422) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
PubChem CID18872422
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
SMILESCc1ccc2occ(CC(=O)NNC(=O)COc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O4/c1-13-7-8-17-16(9-13)14(11-25-17)10-18(22)20-21-19(23)12-24-15-5-3-2-4-6-15/h2-9,11H,10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyNWSOGADXUSXRQC-UHFFFAOYSA-N
XLogP2.51
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
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
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18872423
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18159262
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
CID 117185001

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide?
The IUPAC name of 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide (CID 18872422) is 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide.
What is the SMILES notation for 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide?
The canonical SMILES for 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide is Cc1ccc2occ(CC(=O)NNC(=O)COc3ccccc3)c2c1.
What is the InChIKey of 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide?
The InChIKey is NWSOGADXUSXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13-7-8-17-16(9-13)14(11-25-17)10-18(22)20-21-19(23)12-24-15-5-3-2-4-6-15/h2-9,11H,10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide?
2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide has a molecular weight of 338.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide is sourced from PubChem (CID 18872422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).