N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide

C21H20N2O2 — CID 6368411

IUPACN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
SMILESO=C(N/N=C1\CC2CC=CC12)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-5-4-8-19(17)20)16-11-9-15(10-12-16)14-25-18-6-2-1-3-7-18/h1-4,6-12,17,19H,5,13-14H2,(H,23,24)/b22-20+
InChIKeyRCGUBUHAAHJUQJ-LSDHQDQOSA-N
MW332.40 g/mol
LogP3.95
Rot. Bonds5

About N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide

N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide (PubChem CID 6368411) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
PubChem CID6368411
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
SMILESO=C(N/N=C1\CC2CC=CC12)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-5-4-8-19(17)20)16-11-9-15(10-12-16)14-25-18-6-2-1-3-7-18/h1-4,6-12,17,19H,5,13-14H2,(H,23,24)/b22-20+
InChIKeyRCGUBUHAAHJUQJ-LSDHQDQOSA-N
XLogP3.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide (CID 6368411) is N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide is O=C(N/N=C1\CC2CC=CC12)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide?
The InChIKey is RCGUBUHAAHJUQJ-LSDHQDQOSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(23-22-20-13-17-5-4-8-19(17)20)16-11-9-15(10-12-16)14-25-18-6-2-1-3-7-18/h1-4,6-12,17,19H,5,13-14H2,(H,23,24)/b22-20+.
What are the key properties of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide?
N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide has a molecular weight of 332.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 6368411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).