5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

C20H20N2O5 — CID 8873473

IUPAC5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNC(=O)COc3ccc(C)cc3)c(C)c2c1
InChIInChI=1S/C20H20N2O5/c1-12-4-6-14(7-5-12)26-11-18(23)21-22-20(24)19-13(2)16-10-15(25-3)8-9-17(16)27-19/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQJMHGBGWIMDQQC-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.90
Rot. Bonds5

About 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 8873473) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID8873473
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCOc1ccc2oc(C(=O)NNC(=O)COc3ccc(C)cc3)c(C)c2c1
InChIInChI=1S/C20H20N2O5/c1-12-4-6-14(7-5-12)26-11-18(23)21-22-20(24)19-13(2)16-10-15(25-3)8-9-17(16)27-19/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyQJMHGBGWIMDQQC-UHFFFAOYSA-N
XLogP2.90
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.90
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

5-methoxy-3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 8913378
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
5-fluoro-3-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 24502823
5-bromo-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 5218270
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 9090843
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
CID 51332390

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 8873473) is 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is COc1ccc2oc(C(=O)NNC(=O)COc3ccc(C)cc3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is QJMHGBGWIMDQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12-4-6-14(7-5-12)26-11-18(23)21-22-20(24)19-13(2)16-10-15(25-3)8-9-17(16)27-19/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 368.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 8873473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).