N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide

C17H24N2O2 — CID 25237185

IUPACN-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-5-12-21-16-10-6-14(7-11-16)13-18-19-17(20)15-8-9-15/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,20)/b18-13+
InChIKeyFKQMETAEHPQNHN-QGOAFFKASA-N
MW288.39 g/mol
LogP3.51
Rot. Bonds9

About N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 25237185) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID25237185
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCCCCCCOc1ccc(/C=N/NC(=O)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-5-12-21-16-10-6-14(7-11-16)13-18-19-17(20)15-8-9-15/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,20)/b18-13+
InChIKeyFKQMETAEHPQNHN-QGOAFFKASA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide (CID 25237185) is N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide is CCCCCCOc1ccc(/C=N/NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is FKQMETAEHPQNHN-QGOAFFKASA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-4-5-12-21-16-10-6-14(7-11-16)13-18-19-17(20)15-8-9-15/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3,(H,19,20)/b18-13+.
What are the key properties of N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hexoxyphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 25237185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).