N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide

C15H20N2O3 — CID 25237183

IUPACN-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCOc1ccc(/C=N/NC(=O)C2CC2)c(OCC)c1
InChIInChI=1S/C15H20N2O3/c1-3-19-13-8-7-12(14(9-13)20-4-2)10-16-17-15(18)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,17,18)/b16-10+
InChIKeyAAOAUZRHFITLPG-MHWRWJLKSA-N
MW276.34 g/mol
LogP2.34
Rot. Bonds7

About N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 25237183) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID25237183
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCOc1ccc(/C=N/NC(=O)C2CC2)c(OCC)c1
InChIInChI=1S/C15H20N2O3/c1-3-19-13-8-7-12(14(9-13)20-4-2)10-16-17-15(18)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,17,18)/b16-10+
InChIKeyAAOAUZRHFITLPG-MHWRWJLKSA-N
XLogP2.34
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.34
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'-[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 5334780
N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 5340371
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine;hydrochloride
CID 16239597
N'-[(E)-(2-propoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 25237186
N'-(2-isopropoxybenzylidene)cyclopropanecarbohydrazide
CID 6874718
3-(Acetyloxy)-4-{2-[(2-allylphenoxy)acetyl]carbohydrazonoyl}phenyl acetate
CID 6876607
N'-{(E)-[4-(hexyloxy)phenyl]methylidene}cyclopropanecarbohydrazide
CID 25237185
N'-[(E)-(2,4-diethoxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 25237216
N-[(E)-1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]cyclopropanecarboxamide
CID 9655751
N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 9662629
N'-{(E)-[2-(propan-2-yloxy)phenyl]methylidene}cyclopentanecarbohydrazide
CID 25237219
3-(2,2-dichlorovinyl)-N'-(2,4-dimethoxybenzylidene)-2,2-dimethylcyclopropanecarbohydrazide
CID 9625949

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 25237183) is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide is CCOc1ccc(/C=N/NC(=O)C2CC2)c(OCC)c1.
What is the InChIKey of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is AAOAUZRHFITLPG-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-19-13-8-7-12(14(9-13)20-4-2)10-16-17-15(18)11-5-6-11/h7-11H,3-6H2,1-2H3,(H,17,18)/b16-10+.
What are the key properties of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 25237183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).