N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide

C20H20N2O4 — CID 18872538

IUPACN'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
SMILESCCc1ccc2occ(CC(=O)NNC(=O)c3ccc(OC)cc3)c2c1
InChIInChI=1S/C20H20N2O4/c1-3-13-4-9-18-17(10-13)15(12-26-18)11-19(23)21-22-20(24)14-5-7-16(25-2)8-6-14/h4-10,12H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTXEZSQYSECIAMN-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.01
Rot. Bonds5

About N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide

N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide (PubChem CID 18872538) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
PubChem CID18872538
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
SMILESCCc1ccc2occ(CC(=O)NNC(=O)c3ccc(OC)cc3)c2c1
InChIInChI=1S/C20H20N2O4/c1-3-13-4-9-18-17(10-13)15(12-26-18)11-19(23)21-22-20(24)14-5-7-16(25-2)8-6-14/h4-10,12H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTXEZSQYSECIAMN-UHFFFAOYSA-N
XLogP3.01
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.01
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

4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 18164667
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
2-(5-ethyl-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860488
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18861230
N-[(2-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872463
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide
CID 1011747
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934971

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide (CID 18872538) is N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide is CCc1ccc2occ(CC(=O)NNC(=O)c3ccc(OC)cc3)c2c1.
What is the InChIKey of N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide?
The InChIKey is TXEZSQYSECIAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-13-4-9-18-17(10-13)15(12-26-18)11-19(23)21-22-20(24)14-5-7-16(25-2)8-6-14/h4-10,12H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide?
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide has a molecular weight of 352.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 18872538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).