N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide

C21H22N2O6 — CID 25469436

IUPACN'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2oc3ccc(OC)cc3c2C)cc1OC
InChIInChI=1S/C21H22N2O6/c1-5-28-17-8-6-13(10-18(17)27-4)20(24)22-23-21(25)19-12(2)15-11-14(26-3)7-9-16(15)29-19/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJUYCWARLPLCKFN-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.23
Rot. Bonds6

About N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide

N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 25469436) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID25469436
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC NameN'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2oc3ccc(OC)cc3c2C)cc1OC
InChIInChI=1S/C21H22N2O6/c1-5-28-17-8-6-13(10-18(17)27-4)20(24)22-23-21(25)19-12(2)15-11-14(26-3)7-9-16(15)29-19/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyJUYCWARLPLCKFN-UHFFFAOYSA-N
XLogP3.23
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 55996326
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
(5-acetyl-2-methoxyphenyl)methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 5109453
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide (CID 25469436) is N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2oc3ccc(OC)cc3c2C)cc1OC.
What is the InChIKey of N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is JUYCWARLPLCKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-5-28-17-8-6-13(10-18(17)27-4)20(24)22-23-21(25)19-12(2)15-11-14(26-3)7-9-16(15)29-19/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 398.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 25469436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).