IK3

(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide

Created:	2022-03-22
Last modified:	2022-11-23

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1 entries where IK3 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	6

2D diagram of IK3

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Chemical Component Summary
Name	(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
Formula	C₁₄ H₁₈ N₂ O₃
Molecular Weight	262.304
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NC(Cc1ccc(cc1)O)C(=O)NCC=C
Canonical SMILES	CACTVS	3.385	CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC=C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC=C
InChI	InChI	1.06	InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1
InChIKey	InChI	1.06	OVAVZWLRPFXTJT-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
PubChem	165430640

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