N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide

C14H18N2O3 — CID 5334780

IUPACN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCOc1ccc(/C=N/NC(=O)C2CC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-3-19-12-7-4-10(8-13(12)18-2)9-15-16-14(17)11-5-6-11/h4,7-9,11H,3,5-6H2,1-2H3,(H,16,17)/b15-9+
InChIKeyRFESFRFVCGTFFW-OQLLNIDSSA-N
MW262.31 g/mol
LogP1.95
Rot. Bonds6

About N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 5334780) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID5334780
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCOc1ccc(/C=N/NC(=O)C2CC2)cc1OC
InChIInChI=1S/C14H18N2O3/c1-3-19-12-7-4-10(8-13(12)18-2)9-15-16-14(17)11-5-6-11/h4,7-9,11H,3,5-6H2,1-2H3,(H,16,17)/b15-9+
InChIKeyRFESFRFVCGTFFW-OQLLNIDSSA-N
XLogP1.95
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]urea
CID 9795610
N-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]acetamide
CID 9860400
N-[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino]propanamide
CID 44315482
N-[(E)-1-(3-cyclopentyloxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 44315803
N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 5340371
N'-(3,4-diethoxybenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6871734
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-1-methylbicyclo[4.1.0]heptane-7-carbohydrazide
CID 9591898
N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 9649735
N-[(Z)-[3-[(E)-cinnamyl]oxybenzylidene]amino]acetamide
CID 25237178
N'-{(E)-[3-ethoxy-4-(propan-2-yloxy)phenyl]methylidene}cyclopropanecarbohydrazide
CID 25237184
N'-[(E)-(2-propoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 25237186

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 5334780) is N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide is CCOc1ccc(/C=N/NC(=O)C2CC2)cc1OC.
What is the InChIKey of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is RFESFRFVCGTFFW-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-19-12-7-4-10(8-13(12)18-2)9-15-16-14(17)11-5-6-11/h4,7-9,11H,3,5-6H2,1-2H3,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 5334780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).