4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide

C20H22N2O3 — CID 135647394

IUPAC4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-10-17(23)11-7-15)21-22-20(24)16-8-12-19(13-9-16)25-18-4-2-3-5-18/h6-13,18,23H,2-5H2,1H3,(H,22,24)/b21-14+
InChIKeyQFPDWWKCLJEEAY-KGENOOAVSA-N
MW338.41 g/mol
LogP3.87
Rot. Bonds5

About 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide

4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 135647394) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID135647394
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-10-17(23)11-7-15)21-22-20(24)16-8-12-19(13-9-16)25-18-4-2-3-5-18/h6-13,18,23H,2-5H2,1H3,(H,22,24)/b21-14+
InChIKeyQFPDWWKCLJEEAY-KGENOOAVSA-N
XLogP3.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide (CID 135647394) is 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is QFPDWWKCLJEEAY-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-6-10-17(23)11-7-15)21-22-20(24)16-8-12-19(13-9-16)25-18-4-2-3-5-18/h6-13,18,23H,2-5H2,1H3,(H,22,24)/b21-14+.
What are the key properties of 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide?
4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 135647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).