N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide

C18H24N2O3 — CID 25237220

IUPACN-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESC=CCOc1ccc(/C=N/NC(=O)C2CCCC2)cc1OCC
InChIInChI=1S/C18H24N2O3/c1-3-11-23-16-10-9-14(12-17(16)22-4-2)13-19-20-18(21)15-7-5-6-8-15/h3,9-10,12-13,15H,1,4-8,11H2,2H3,(H,20,21)/b19-13+
InChIKeyVBVNDXXIYXRWPT-CPNJWEJPSA-N
MW316.40 g/mol
LogP3.29
Rot. Bonds8

About N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237220) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237220
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESC=CCOc1ccc(/C=N/NC(=O)C2CCCC2)cc1OCC
InChIInChI=1S/C18H24N2O3/c1-3-11-23-16-10-9-14(12-17(16)22-4-2)13-19-20-18(21)15-7-5-6-8-15/h3,9-10,12-13,15H,1,4-8,11H2,2H3,(H,20,21)/b19-13+
InChIKeyVBVNDXXIYXRWPT-CPNJWEJPSA-N
XLogP3.29
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide (CID 25237220) is N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide is C=CCOc1ccc(/C=N/NC(=O)C2CCCC2)cc1OCC.
What is the InChIKey of N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is VBVNDXXIYXRWPT-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-11-23-16-10-9-14(12-17(16)22-4-2)13-19-20-18(21)15-7-5-6-8-15/h3,9-10,12-13,15H,1,4-8,11H2,2H3,(H,20,21)/b19-13+.
What are the key properties of N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.29, 8 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-prop-2-enoxyphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).