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

C17H24N2O3 — CID 24818496

IUPACN-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCCOc1ccc(C=NNC(=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)
InChIKeyVKXUFOYEDJMJQV-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.12
Rot. Bonds7

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

N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 24818496) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID24818496
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCCOc1ccc(C=NNC(=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)
InChIKeyVKXUFOYEDJMJQV-UHFFFAOYSA-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-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8899053
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 6113811
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234
1-[(E)-(2,4-diethoxyphenyl)methylideneamino]-3-phenylthiourea
CID 110508571
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944801
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126060130
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8899153
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide (CID 24818496) is N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide is CCOc1ccc(C=NNC(=O)C2CCCC2)c(OCC)c1.
What is the InChIKey of N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is VKXUFOYEDJMJQV-UHFFFAOYSA-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).
What are the key properties of N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(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-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 24818496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).