N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide

C17H24N2O — CID 25237188

IUPACN-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCC(C)(C)c1ccc(/C=N/NC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-17(2,3)15-10-8-13(9-11-15)12-18-19-16(20)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,19,20)/b18-12+
InChIKeyDWAPMRQVZWYBJR-LDADJPATSA-N
MW272.39 g/mol
LogP3.62
Rot. Bonds3

About N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide

N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide (PubChem CID 25237188) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide
PubChem CID25237188
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide
SMILESCC(C)(C)c1ccc(/C=N/NC(=O)C2CCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-17(2,3)15-10-8-13(9-11-15)12-18-19-16(20)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,19,20)/b18-12+
InChIKeyDWAPMRQVZWYBJR-LDADJPATSA-N
XLogP3.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.62
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'}

Analyze N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide?
The IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide (CID 25237188) is N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide.
What is the SMILES notation for N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide?
The canonical SMILES for N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide is CC(C)(C)c1ccc(/C=N/NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide?
The InChIKey is DWAPMRQVZWYBJR-LDADJPATSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)15-10-8-13(9-11-15)12-18-19-16(20)14-6-4-5-7-14/h8-12,14H,4-7H2,1-3H3,(H,19,20)/b18-12+.
What are the key properties of N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide?
N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-tert-butylphenyl)methylideneamino]cyclopentanecarboxamide is sourced from PubChem (CID 25237188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).