N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide

C26H21N3O5 — CID 24636209

IUPACN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
SMILESCOc1ccc2c(CC(=O)NNC(=O)COc3ccc(-c4ccc(C#N)cc4)cc3)coc2c1
InChIInChI=1S/C26H21N3O5/c1-32-22-10-11-23-20(15-34-24(23)13-22)12-25(30)28-29-26(31)16-33-21-8-6-19(7-9-21)18-4-2-17(14-27)3-5-18/h2-11,13,15H,12,16H2,1H3,(H,28,30)(H,29,31)
InChIKeyMSFXDATWVMAOBB-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.75
Rot. Bonds7

About N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide

N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide (PubChem CID 24636209) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
PubChem CID24636209
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC NameN'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
SMILESCOc1ccc2c(CC(=O)NNC(=O)COc3ccc(-c4ccc(C#N)cc4)cc3)coc2c1
InChIInChI=1S/C26H21N3O5/c1-32-22-10-11-23-20(15-34-24(23)13-22)12-25(30)28-29-26(31)16-33-21-8-6-19(7-9-21)18-4-2-17(14-27)3-5-18/h2-11,13,15H,12,16H2,1H3,(H,28,30)(H,29,31)
InChIKeyMSFXDATWVMAOBB-UHFFFAOYSA-N
XLogP3.75
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.75
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

(4-cyanophenyl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7741382
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546
N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18158747
(3-cyanophenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901957
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
CID 34988498

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide?
The IUPAC name of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide (CID 24636209) is N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide is COc1ccc2c(CC(=O)NNC(=O)COc3ccc(-c4ccc(C#N)cc4)cc3)coc2c1.
What is the InChIKey of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide?
The InChIKey is MSFXDATWVMAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-32-22-10-11-23-20(15-34-24(23)13-22)12-25(30)28-29-26(31)16-33-21-8-6-19(7-9-21)18-4-2-17(14-27)3-5-18/h2-11,13,15H,12,16H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide?
N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide has a molecular weight of 455.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide is sourced from PubChem (CID 24636209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).