N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide

C22H26N2O6 — CID 9439853

IUPACN'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC
InChIInChI=1S/C22H26N2O6/c1-5-28-16-10-9-14(11-18(16)27-4)21(26)24-23-19(25)13-29-17-8-6-7-15-12-22(2,3)30-20(15)17/h6-11H,5,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWSEVYOQESBJOEJ-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.65
Rot. Bonds7

About N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide

N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide (PubChem CID 9439853) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide
PubChem CID9439853
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC NameN'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC
InChIInChI=1S/C22H26N2O6/c1-5-28-16-10-9-14(11-18(16)27-4)21(26)24-23-19(25)13-29-17-8-6-7-15-12-22(2,3)30-20(15)17/h6-11H,5,12-13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWSEVYOQESBJOEJ-UHFFFAOYSA-N
XLogP2.65
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.65
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

dimethyl 5-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 7959511
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9439041
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
(3-fluoro-4-methoxyphenyl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855710
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
CID 26842036
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
N'-[2-(2-chlorophenoxy)acetyl]-3,4-diethoxybenzohydrazide
CID 7601114

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide (CID 9439853) is N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC.
What is the InChIKey of N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The InChIKey is WSEVYOQESBJOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-5-28-16-10-9-14(11-18(16)27-4)21(26)24-23-19(25)13-29-17-8-6-7-15-12-22(2,3)30-20(15)17/h6-11H,5,12-13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide?
N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide has a molecular weight of 414.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-4-ethoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 9439853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).