Crotetamide

CAT: 1299-RM-C487001-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C487001-02Size:25 mg

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CAS Number

6168-76-9

Synonyms

N- (1- (dimethylamino) -1-oxobutan-2-yl) -N-ethylbut-2-enamide

Molecular Formula

C12H22N2O2

Molecular Weight

226.32

Target Alternative Name

Crotetamide

Product Name Synonym

N- (1- (dimethylamino) -1-oxobutan-2-yl) -N-ethylbut-2-enamide

Chemical Information

Crotetamide

Crotetamide is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

CAS Number	6168-76-9
PubChem CID	5368010
IUPAC Name	2-[[(E)-but-2-enoyl]-ethylamino]-N,N-dimethylbutanamide
Molecular Formula	C12H22N2O2
Molecular Weight	226.32
XLogP	1.4
Topological Polar Surface Area	40.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	272

SMILES

CCC(C(=O)N(C)C)N(CC)C(=O)/C=C/C

InChI

InChI=1S/C12H22N2O2/c1-6-9-11(15)14(8-3)10(7-2)12(16)13(4)5/h6,9-10H,7-8H2,1-5H3/b9-6+

InChIKey

LSAMUAYPDHUBQD-RMKNXTFCSA-N

Chemical Structure

2D Structure

CAS: 6168-76-9

CID: 5368010

Formula: C12H22N2O2

MW: 226.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.32
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	226.168127949
Monoisotopic Mass	226.168127949
Topological Polar Surface Area	40.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	272
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes