4-tert-butyl-N-(cyclopentylideneamino)benzamide

C16H22N2O — CID 966675

IUPAC4-tert-butyl-N-(cyclopentylideneamino)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN=C2CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-16(2,3)13-10-8-12(9-11-13)15(19)18-17-14-6-4-5-7-14/h8-11H,4-7H2,1-3H3,(H,18,19)
InChIKeyQOGJFENWHIAYBD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.64
Rot. Bonds2

About 4-tert-butyl-N-(cyclopentylideneamino)benzamide

4-tert-butyl-N-(cyclopentylideneamino)benzamide (PubChem CID 966675) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(cyclopentylideneamino)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(cyclopentylideneamino)benzamide
PubChem CID966675
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-tert-butyl-N-(cyclopentylideneamino)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NN=C2CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-16(2,3)13-10-8-12(9-11-13)15(19)18-17-14-6-4-5-7-14/h8-11H,4-7H2,1-3H3,(H,18,19)
InChIKeyQOGJFENWHIAYBD-UHFFFAOYSA-N
XLogP3.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.64
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 4-tert-butyl-N-(cyclopentylideneamino)benzamide?
The IUPAC name of 4-tert-butyl-N-(cyclopentylideneamino)benzamide (CID 966675) is 4-tert-butyl-N-(cyclopentylideneamino)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(cyclopentylideneamino)benzamide?
The canonical SMILES for 4-tert-butyl-N-(cyclopentylideneamino)benzamide is CC(C)(C)c1ccc(C(=O)NN=C2CCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(cyclopentylideneamino)benzamide?
The InChIKey is QOGJFENWHIAYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,3)13-10-8-12(9-11-13)15(19)18-17-14-6-4-5-7-14/h8-11H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-(cyclopentylideneamino)benzamide?
4-tert-butyl-N-(cyclopentylideneamino)benzamide has a molecular weight of 258.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(cyclopentylideneamino)benzamide is sourced from PubChem (CID 966675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).