N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide

C15H20N2O3 — CID 135647873

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCCOc1cc(/C=N/NC(=O)C2CCCC2)ccc1O
InChIInChI=1S/C15H20N2O3/c1-2-20-14-9-11(7-8-13(14)18)10-16-17-15(19)12-5-3-4-6-12/h7-10,12,18H,2-6H2,1H3,(H,17,19)/b16-10+
InChIKeyWCVITAYULWQTNW-MHWRWJLKSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds5

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 135647873) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID135647873
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCCOc1cc(/C=N/NC(=O)C2CCCC2)ccc1O
InChIInChI=1S/C15H20N2O3/c1-2-20-14-9-11(7-8-13(14)18)10-16-17-15(19)12-5-3-4-6-12/h7-10,12,18H,2-6H2,1H3,(H,17,19)/b16-10+
InChIKeyWCVITAYULWQTNW-MHWRWJLKSA-N
XLogP2.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
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 N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide (CID 135647873) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide is CCOc1cc(/C=N/NC(=O)C2CCCC2)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is WCVITAYULWQTNW-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-14-9-11(7-8-13(14)18)10-16-17-15(19)12-5-3-4-6-12/h7-10,12,18H,2-6H2,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 135647873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).