N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide

C14H18N2O4 — CID 5340371

IUPACN-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2CC2)c(OC)c1OC
InChIInChI=1S/C14H18N2O4/c1-18-11-7-6-10(12(19-2)13(11)20-3)8-15-16-14(17)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17)/b15-8+
InChIKeyORLGSFDCWLFKNQ-OVCLIPMQSA-N
MW278.31 g/mol
LogP1.57
Rot. Bonds6

About N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 5340371) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID5340371
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2CC2)c(OC)c1OC
InChIInChI=1S/C14H18N2O4/c1-18-11-7-6-10(12(19-2)13(11)20-3)8-15-16-14(17)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17)/b15-8+
InChIKeyORLGSFDCWLFKNQ-OVCLIPMQSA-N
XLogP1.57
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 5334780
N'-{(E)-[3-ethoxy-4-(propan-2-yloxy)phenyl]methylidene}cyclopropanecarbohydrazide
CID 25237184
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 5703451
N'-[(E)-(2,4-diethoxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 25237216
N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 9662629
N'-[(E)-(2,4-diethoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 25237183
2-Oxo-2-[2-(2,3,4-trimethoxybenzylidene)hydrazino]acetamide
CID 6894085
3-(2,2-dichlorovinyl)-N'-(2,4-dimethoxybenzylidene)-2,2-dimethylcyclopropanecarbohydrazide
CID 9625949
6-oxo-N'-(3,4,5-trimethoxybenzylidene)-1,6-dihydro-3-pyridazinecarbohydrazide
CID 5413950
1-methyl-6-oxo-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6868941

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 5340371) is N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide is COc1ccc(/C=N/NC(=O)C2CC2)c(OC)c1OC.
What is the InChIKey of N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is ORLGSFDCWLFKNQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-18-11-7-6-10(12(19-2)13(11)20-3)8-15-16-14(17)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17)/b15-8+.
What are the key properties of N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 5340371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).