Structural Complex
Chemical ID: 8ZX
IUPAC Name: 4-methoxybenzamide
Formal Charge: 0
Type: NON-POLYMER
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccccc1
InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C8 H9 N O2
Molecular weight: 151.163
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 1
Rotatable Bonds: 3
Heavy Atoms: 11
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.6 4-methoxybenzamide
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10)
InChIKey InChI 1.03 GUCPYIYFQVTFSI-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 COc1ccc(cc1)C(N)=O
SMILES CACTVS 3.385 COc1ccc(cc1)C(N)=O
SMILES_CANONICAL OpenEye OEToolkits 2.0.6 COc1ccc(cc1)C(=O)N
SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cc1)C(=O)N
Chemical Database Mapping
Database Reference ID
PubChem 76959
ChEBI 194912
ZINC ZINC000000161203
SureChEMBL SCHEMBL201761
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