ISDA: 5RHG

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: NY7

IUPAC Name: N-(2-methoxy-5-methylphenyl)glycinamide

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: C10 H14 N2 O2

Molecular weight: 194.230

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 2

Rotatable Bonds: 6

Heavy Atoms: 14

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	N-(2-methoxy-5-methylphenyl)glycinamide
OpenEye OEToolkits	2.0.6	2-azanyl-~{N}-(2-methoxy-5-methyl-phenyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c1cc(ccc1OC)C)C(CN)=O
InChI	InChI	1.03	InChI=1S/C10H14N2O2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey	InChI	1.03	SRFLDWOWAGQZAD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(C)cc1NC(=O)CN
SMILES	CACTVS	3.385	COc1ccc(C)cc1NC(=O)CN
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)NC(=O)CN)OC
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)NC(=O)CN)OC

Chemical Database Mapping

Database	Reference ID
PubChem	16226828