N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide

C16H22N2O3 — CID 25237184

IUPACN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCOc1cc(/C=N/NC(=O)C2CC2)ccc1OC(C)C
InChIInChI=1S/C16H22N2O3/c1-4-20-15-9-12(5-8-14(15)21-11(2)3)10-17-18-16(19)13-6-7-13/h5,8-11,13H,4,6-7H2,1-3H3,(H,18,19)/b17-10+
InChIKeyADCPUUUURVQQLJ-LICLKQGHSA-N
MW290.36 g/mol
LogP2.73
Rot. Bonds7

About N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 25237184) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID25237184
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCOc1cc(/C=N/NC(=O)C2CC2)ccc1OC(C)C
InChIInChI=1S/C16H22N2O3/c1-4-20-15-9-12(5-8-14(15)21-11(2)3)10-17-18-16(19)13-6-7-13/h5,8-11,13H,4,6-7H2,1-3H3,(H,18,19)/b17-10+
InChIKeyADCPUUUURVQQLJ-LICLKQGHSA-N
XLogP2.73
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.73
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)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 5334780
N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 5340371
N'-(3,4-diethoxybenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6871734
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-3-[4-(propan-2-yloxy)phenyl]propanehydrazide
CID 6888950
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-1-methylbicyclo[4.1.0]heptane-7-carbohydrazide
CID 9591898
(2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazinecarboxamide
CID 9600675
N-[(Z)-[3-[(E)-cinnamyl]oxybenzylidene]amino]acetamide
CID 25237178

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 25237184) is N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide is CCOc1cc(/C=N/NC(=O)C2CC2)ccc1OC(C)C.
What is the InChIKey of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is ADCPUUUURVQQLJ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-20-15-9-12(5-8-14(15)21-11(2)3)10-17-18-16(19)13-6-7-13/h5,8-11,13H,4,6-7H2,1-3H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 25237184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).