4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

C18H20N2O3 — CID 6875095

IUPAC4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)o1
InChIInChI=1S/C18H20N2O3/c1-13-6-9-17(22-13)12-19-20-18(21)14-7-10-16(11-8-14)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,20,21)/b19-12+
InChIKeyJOSQDEQCTOSDHM-XDHOZWIPSA-N
MW312.37 g/mol
LogP3.67
Rot. Bonds5

About 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 6875095) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID6875095
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)o1
InChIInChI=1S/C18H20N2O3/c1-13-6-9-17(22-13)12-19-20-18(21)14-7-10-16(11-8-14)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,20,21)/b19-12+
InChIKeyJOSQDEQCTOSDHM-XDHOZWIPSA-N
XLogP3.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 6875095) is 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccc(OC3CCCC3)cc2)o1.
What is the InChIKey of 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is JOSQDEQCTOSDHM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-6-9-17(22-13)12-19-20-18(21)14-7-10-16(11-8-14)23-15-4-2-3-5-15/h6-12,15H,2-5H2,1H3,(H,20,21)/b19-12+.
What are the key properties of 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6875095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).