N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide

C21H22N2O5 — CID 18164667

IUPACN'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)coc2c1
InChIInChI=1S/C21H22N2O5/c1-4-13-5-7-16-15(12-28-18(16)9-13)11-20(24)22-23-21(25)14-6-8-17(26-2)19(10-14)27-3/h5-10,12H,4,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAGGRBVSWCLVTGG-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.02
Rot. Bonds6

About N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide

N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide (PubChem CID 18164667) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
PubChem CID18164667
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)coc2c1
InChIInChI=1S/C21H22N2O5/c1-4-13-5-7-16-15(12-28-18(16)9-13)11-20(24)22-23-21(25)14-6-8-17(26-2)19(10-14)27-3/h5-10,12H,4,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAGGRBVSWCLVTGG-UHFFFAOYSA-N
XLogP3.02
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.02
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

N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934971
3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 18270509
3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8913304
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525382
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
CID 18872538
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide
CID 35428235
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N-[(3,4-dimethoxyphenyl)methyl]-2-(6-ethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 18111539
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 9477513
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9470559
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide (CID 18164667) is N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide is CCc1ccc2c(CC(=O)NNC(=O)c3ccc(OC)c(OC)c3)coc2c1.
What is the InChIKey of N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is AGGRBVSWCLVTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-4-13-5-7-16-15(12-28-18(16)9-13)11-20(24)22-23-21(25)14-6-8-17(26-2)19(10-14)27-3/h5-10,12H,4,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 382.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 18164667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).