N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide

C17H24N2O3 — CID 25237216

IUPACN-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCCOc1ccc(/C=N/NC(=O)C2CCCC2)c(OCC)c1
InChIInChI=1S/C17H24N2O3/c1-3-21-15-10-9-14(16(11-15)22-4-2)12-18-19-17(20)13-7-5-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20)/b18-12+
InChIKeyVKXUFOYEDJMJQV-LDADJPATSA-N
MW304.39 g/mol
LogP3.12
Rot. Bonds7

About N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237216) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237216
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCCOc1ccc(/C=N/NC(=O)C2CCCC2)c(OCC)c1
InChIInChI=1S/C17H24N2O3/c1-3-21-15-10-9-14(16(11-15)22-4-2)12-18-19-17(20)13-7-5-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20)/b18-12+
InChIKeyVKXUFOYEDJMJQV-LDADJPATSA-N
XLogP3.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.12
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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Related Compounds

N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 5340371
Phenyl-acetic acid (2-allyloxy-benzylidene)-hydrazide
CID 9593809
N'-[(E)-(2-propoxyphenyl)methylidene]cyclopropanecarbohydrazide
CID 25237186
N'-[(E)-(4-methoxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 45928573
N'-(2-isopropoxybenzylidene)cyclopropanecarbohydrazide
CID 6874718
4-(4-methoxyphenyl)-N'-[(E)-(2-methoxyphenyl)methylidene]butanehydrazide
CID 9596425
Hydroxy-phenyl-acetic acid (4-ethoxy-2-hydroxy-benzylidene)-hydrazide
CID 135537517
N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
CID 135886613
N'-{(E)-[4-(hexyloxy)phenyl]methylidene}cyclopropanecarbohydrazide
CID 25237185
N'-{(E)-[3-ethoxy-4-(propan-2-yloxy)phenyl]methylidene}cyclopentanecarbohydrazide
CID 25237217
N'-{(E)-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}cyclopentanecarbohydrazide
CID 25237220
N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 9662629

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide (CID 25237216) is N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide is CCOc1ccc(/C=N/NC(=O)C2CCCC2)c(OCC)c1.
What is the InChIKey of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is VKXUFOYEDJMJQV-LDADJPATSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-21-15-10-9-14(16(11-15)22-4-2)12-18-19-17(20)13-7-5-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20)/b18-12+.
What are the key properties of N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).