N-[(E)-4-phenylbutan-2-ylideneamino]benzamide

C17H18N2O — CID 6004735

IUPACN-[(E)-4-phenylbutan-2-ylideneamino]benzamide
SMILESC/C(CCc1ccccc1)=N\NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-14(12-13-15-8-4-2-5-9-15)18-19-17(20)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,20)/b18-14+
InChIKeyQHCKGIHINHFNMR-NBVRZTHBSA-N
MW266.34 g/mol
LogP3.43
Rot. Bonds5

About N-[(E)-4-phenylbutan-2-ylideneamino]benzamide

N-[(E)-4-phenylbutan-2-ylideneamino]benzamide (PubChem CID 6004735) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(E)-4-phenylbutan-2-ylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-4-phenylbutan-2-ylideneamino]benzamide
PubChem CID6004735
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(E)-4-phenylbutan-2-ylideneamino]benzamide
SMILESC/C(CCc1ccccc1)=N\NC(=O)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-14(12-13-15-8-4-2-5-9-15)18-19-17(20)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,20)/b18-14+
InChIKeyQHCKGIHINHFNMR-NBVRZTHBSA-N
XLogP3.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.43
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-phenylbutan-2-ylideneamino]benzamide?
The IUPAC name of N-[(E)-4-phenylbutan-2-ylideneamino]benzamide (CID 6004735) is N-[(E)-4-phenylbutan-2-ylideneamino]benzamide.
What is the SMILES notation for N-[(E)-4-phenylbutan-2-ylideneamino]benzamide?
The canonical SMILES for N-[(E)-4-phenylbutan-2-ylideneamino]benzamide is C/C(CCc1ccccc1)=N\NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-4-phenylbutan-2-ylideneamino]benzamide?
The InChIKey is QHCKGIHINHFNMR-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H18N2O/c1-14(12-13-15-8-4-2-5-9-15)18-19-17(20)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,19,20)/b18-14+.
What are the key properties of N-[(E)-4-phenylbutan-2-ylideneamino]benzamide?
N-[(E)-4-phenylbutan-2-ylideneamino]benzamide has a molecular weight of 266.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-phenylbutan-2-ylideneamino]benzamide is sourced from PubChem (CID 6004735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).