N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide

C13H14N2O2 — CID 8826088

IUPACN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
SMILESCCc1oc2ccccc2c1/C=N\NC(C)=O
InChIInChI=1S/C13H14N2O2/c1-3-12-11(8-14-15-9(2)16)10-6-4-5-7-13(10)17-12/h4-8H,3H2,1-2H3,(H,15,16)/b14-8-
InChIKeyBUJKWADTZVJIQD-ZSOIEALJSA-N
MW230.27 g/mol
LogP2.47
Rot. Bonds3

About N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide

N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide (PubChem CID 8826088) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
PubChem CID8826088
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
SMILESCCc1oc2ccccc2c1/C=N\NC(C)=O
InChIInChI=1S/C13H14N2O2/c1-3-12-11(8-14-15-9(2)16)10-6-4-5-7-13(10)17-12/h4-8H,3H2,1-2H3,(H,15,16)/b14-8-
InChIKeyBUJKWADTZVJIQD-ZSOIEALJSA-N
XLogP2.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
CID 8825899
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
CID 8825879
N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide
CID 8865346
N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 8826359
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
CID 8825966
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
CID 8825933
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-nitroaniline
CID 8825958
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882780
2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione
CID 23376129
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]acetamide
CID 7937324

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide?
The IUPAC name of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide (CID 8826088) is N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide is CCc1oc2ccccc2c1/C=N\NC(C)=O.
What is the InChIKey of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide?
The InChIKey is BUJKWADTZVJIQD-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-12-11(8-14-15-9(2)16)10-6-4-5-7-13(10)17-12/h4-8H,3H2,1-2H3,(H,15,16)/b14-8-.
What are the key properties of N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide?
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide has a molecular weight of 230.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 8826088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).