N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide

C18H22N2O — CID 11834516

IUPACN-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)C1C2C=CC(C2)C1(C)C
InChIInChI=1S/C18H22N2O/c1-12(16-14-9-10-15(11-14)18(16,2)3)19-20-17(21)13-7-5-4-6-8-13/h4-10,14-16H,11H2,1-3H3,(H,20,21)/b19-12+
InChIKeyXJDPPLAEDJQYHJ-XDHOZWIPSA-N
MW282.39 g/mol
LogP3.64
Rot. Bonds3

About N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide

N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide (PubChem CID 11834516) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide
PubChem CID11834516
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)C1C2C=CC(C2)C1(C)C
InChIInChI=1S/C18H22N2O/c1-12(16-14-9-10-15(11-14)18(16,2)3)19-20-17(21)13-7-5-4-6-8-13/h4-10,14-16H,11H2,1-3H3,(H,20,21)/b19-12+
InChIKeyXJDPPLAEDJQYHJ-XDHOZWIPSA-N
XLogP3.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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4-tert-butyl-N'-cyclopentylidenebenzohydrazide
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N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dimethylbenzamide
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3-methyl-N'-(1-phenylbutylidene)benzohydrazide
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N'-cyclopentylidene-3,4-dimethylbenzohydrazide
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methyl (3Z)-3-(benzoylhydrazinylidene)-2-hexylcyclopentane-1-carboxylate
CID 6103585
N-[(5,5-dimethyl-3-oxocyclohexylidene)azamethyl](4-phenylphenyl)carboxamide
CID 5409624
4-fluoro-N'-[(1E)-1-methyl-2-phenylethylidene]benzohydrazide
CID 5412635

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide?
The IUPAC name of N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide (CID 11834516) is N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)C1C2C=CC(C2)C1(C)C.
What is the InChIKey of N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide?
The InChIKey is XJDPPLAEDJQYHJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(16-14-9-10-15(11-14)18(16,2)3)19-20-17(21)13-7-5-4-6-8-13/h4-10,14-16H,11H2,1-3H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide?
N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethylideneamino]benzamide is sourced from PubChem (CID 11834516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).