N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide

C21H22N2O5 — CID 55996326

IUPACN'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2oc3c(C)cccc3c2C)cc1OC
InChIInChI=1S/C21H22N2O5/c1-5-27-16-10-9-14(11-17(16)26-4)20(24)22-23-21(25)19-13(3)15-8-6-7-12(2)18(15)28-19/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFBPXPDSYGNKQJH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.53
Rot. Bonds5

About N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide

N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide (PubChem CID 55996326) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide
PubChem CID55996326
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2oc3c(C)cccc3c2C)cc1OC
InChIInChI=1S/C21H22N2O5/c1-5-27-16-10-9-14(11-17(16)26-4)20(24)22-23-21(25)19-13(3)15-8-6-7-12(2)18(15)28-19/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyFBPXPDSYGNKQJH-UHFFFAOYSA-N
XLogP3.53
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-ethoxy-3-methoxybenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 25469436
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
4-ethoxy-3-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 25344175
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 51162629

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide (CID 55996326) is N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2oc3c(C)cccc3c2C)cc1OC.
What is the InChIKey of N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide?
The InChIKey is FBPXPDSYGNKQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-5-27-16-10-9-14(11-17(16)26-4)20(24)22-23-21(25)19-13(3)15-8-6-7-12(2)18(15)28-19/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide?
N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide has a molecular weight of 382.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 55996326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).