N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide

C22H24N2O4 — CID 9470559

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)COc3cc(C)cc(C)c3)coc2c1
InChIInChI=1S/C22H24N2O4/c1-4-16-5-6-19-17(12-28-20(19)10-16)11-21(25)23-24-22(26)13-27-18-8-14(2)7-15(3)9-18/h5-10,12H,4,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAJJVAQRXWZADOL-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.38
Rot. Bonds6

About N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide (PubChem CID 9470559) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
PubChem CID9470559
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)COc3cc(C)cc(C)c3)coc2c1
InChIInChI=1S/C22H24N2O4/c1-4-16-5-6-19-17(12-28-20(19)10-16)11-21(25)23-24-22(26)13-27-18-8-14(2)7-15(3)9-18/h5-10,12H,4,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAJJVAQRXWZADOL-UHFFFAOYSA-N
XLogP3.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.38
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

2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18158747
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 18164667
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 18167476
N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 4544204
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18159262
(7-ethyl-2-oxochromen-4-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911848
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 909252
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide (CID 9470559) is N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide is CCc1ccc2c(CC(=O)NNC(=O)COc3cc(C)cc(C)c3)coc2c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is AJJVAQRXWZADOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-16-5-6-19-17(12-28-20(19)10-16)11-21(25)23-24-22(26)13-27-18-8-14(2)7-15(3)9-18/h5-10,12H,4,11,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 380.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 9470559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).