ISDA: 3L0T

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: Z94

IUPAC Name: N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1NC(=O)[C@H](c2ccccc2)N1

InChI: InChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)/t7-/m0/s1

InChI Key: NXQJDVBMMRCKQG-ZETCQYMHSA-N

Physiochemical Descriptor:

Formula: C11 H11 N3 O3

Molecular weight: 233.223

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 3

Rotatable Bonds: 3

Heavy Atoms: 17

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	1.6.1	N-[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.352	CC(=O)Nc1ccc(cc1)[C@@H]2NC(=O)NC2=O
SMILES	CACTVS	3.352	CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2
SMILES	OpenEye OEToolkits	1.7.0	CC(=O)Nc1ccc(cc1)C2C(=O)NC(=O)N2
InChI	InChI	1.03	InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1
InChIKey	InChI	1.03	GUTQNQMNYWTMBT-VIFPVBQESA-N

Chemical Database Mapping

Database	Reference ID
PubChem	44631852
ZINC	ZINC000039334731