N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide

C17H16N2O4 — CID 18159487

IUPACN'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)c3ccco3)coc2c1
InChIInChI=1S/C17H16N2O4/c1-2-11-5-6-13-12(10-23-15(13)8-11)9-16(20)18-19-17(21)14-4-3-7-22-14/h3-8,10H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyHWGXFYCBFQVWHU-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.59
Rot. Bonds4

About N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide

N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide (PubChem CID 18159487) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
PubChem CID18159487
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)c3ccco3)coc2c1
InChIInChI=1S/C17H16N2O4/c1-2-11-5-6-13-12(10-23-15(13)8-11)9-16(20)18-19-17(21)14-4-3-7-22-14/h3-8,10H,2,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyHWGXFYCBFQVWHU-UHFFFAOYSA-N
XLogP2.59
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.59
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-[1-(furan-2-yl)ethyl]acetamide
CID 18110361
3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8913304
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 18164667
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9470559
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9471385
2-[(3R)-1,1-dioxothiolan-3-yl]-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]acetohydrazide
CID 8939302
N-(2,3-dihydro-1H-inden-1-yl)-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 18103846
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
CID 18872538

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide (CID 18159487) is N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide is CCc1ccc2c(CC(=O)NNC(=O)c3ccco3)coc2c1.
What is the InChIKey of N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide?
The InChIKey is HWGXFYCBFQVWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-11-5-6-13-12(10-23-15(13)8-11)9-16(20)18-19-17(21)14-4-3-7-22-14/h3-8,10H,2,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide?
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide has a molecular weight of 312.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 18159487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).