Nbd-556

CAT: 0127-OR1024362-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1024362-02Size:250 mg

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CAS Number

333353-44-9

Synonyms

N'- (4-chlorophenyl) -N- (2,2,6,6-tetramethylpiperidin-4-yl) oxamide

Purity

98%

Smiles

CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Cl)C

Chemical Information

Nbd-556

CAS Number	333353-44-9
PubChem CID	1570601
IUPAC Name	N'-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
Molecular Formula	C17H24ClN3O2
Molecular Weight	337.8
XLogP	2.8
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	441

SMILES

CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)

InChIKey

ZKXLQCIOURANAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 333353-44-9

CID: 1570601

Formula: C17H24ClN3O2

MW: 337.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.8
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	337.1557047
Monoisotopic Mass	337.1557047
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	441
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes