ISDA: 9ZZ0

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1C4G

IUPAC Name: (3R)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1CCCO1

InChI: InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2

InChI Key: YEJRWHAVMIAJKC-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C18 H33 N O4

Molecular weight: 327.459

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 2

Rotatable Bonds: 15

Heavy Atoms: 23

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	(3R)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
OpenEye OEToolkits	3.1.0.0	(3~{R})-3-oxidanyl-~{N}-[(3~{S})-2-oxidanylideneoxolan-3-yl]tetradecanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C1OCCC1NC(=O)CC(O)CCCCCCCCCCC
InChI	InChI	1.06	InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h15-16,20H,2-14H2,1H3,(H,19,21)/t15-,16+/m1/s1
InChIKey	InChI	1.06	IKQUESGRCDRZTI-CVEARBPZSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1CCOC1=O
SMILES	CACTVS	3.385	CCCCCCCCCCC[CH](O)CC(=O)N[CH]1CCOC1=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CCCCCCCCCCC[C@H](CC(=O)N[C@H]1CCOC1=O)O
SMILES	OpenEye OEToolkits	3.1.0.0	CCCCCCCCCCCC(CC(=O)NC1CCOC1=O)O