N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide

C16H17N3O3 — CID 8865346

IUPACN-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide
SMILESCCc1oc2ccccc2c1/C=N\NC(=O)C(=O)NC1CC1
InChIInChI=1S/C16H17N3O3/c1-2-13-12(11-5-3-4-6-14(11)22-13)9-17-19-16(21)15(20)18-10-7-8-10/h3-6,9-10H,2,7-8H2,1H3,(H,18,20)(H,19,21)/b17-9-
InChIKeyZIWWAZIYWRIKMD-MFOYZWKCSA-N
MW299.33 g/mol
LogP1.72
Rot. Bonds4

About N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide (PubChem CID 8865346) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide
PubChem CID8865346
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide
SMILESCCc1oc2ccccc2c1/C=N\NC(=O)C(=O)NC1CC1
InChIInChI=1S/C16H17N3O3/c1-2-13-12(11-5-3-4-6-14(11)22-13)9-17-19-16(21)15(20)18-10-7-8-10/h3-6,9-10H,2,7-8H2,1H3,(H,18,20)(H,19,21)/b17-9-
InChIKeyZIWWAZIYWRIKMD-MFOYZWKCSA-N
XLogP1.72
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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]acetamide
CID 8826088
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-cyclopropyloxamide
CID 5375697
N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 3537553
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-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 8826359
N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
CID 8825966
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8882780
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-cyclopentyl-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
CID 94846855

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide (CID 8865346) is N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide is CCc1oc2ccccc2c1/C=N\NC(=O)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide?
The InChIKey is ZIWWAZIYWRIKMD-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-13-12(11-5-3-4-6-14(11)22-13)9-17-19-16(21)15(20)18-10-7-8-10/h3-6,9-10H,2,7-8H2,1H3,(H,18,20)(H,19,21)/b17-9-.
What are the key properties of N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide has a molecular weight of 299.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide is sourced from PubChem (CID 8865346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).