N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide

C16H22N2O — CID 25237187

IUPACN-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCC(C)c1ccc(/C=N/NC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-12(2)14-9-7-13(8-10-14)11-17-18-16(19)15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3,(H,18,19)/b17-11+
InChIKeyLIUDZVIZSQVIQJ-GZTJUZNOSA-N
MW258.37 g/mol
LogP3.45
Rot. Bonds4

About N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237187) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237187
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCC(C)c1ccc(/C=N/NC(=O)C2CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-12(2)14-9-7-13(8-10-14)11-17-18-16(19)15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3,(H,18,19)/b17-11+
InChIKeyLIUDZVIZSQVIQJ-GZTJUZNOSA-N
XLogP3.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide (CID 25237187) is N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide is CC(C)c1ccc(/C=N/NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is LIUDZVIZSQVIQJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)14-9-7-13(8-10-14)11-17-18-16(19)15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).