JI051

CAT: 0926-JPD28175-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-JPD28175-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2234281-75-3

Smiles

CCOC1=CC=CC=C1CCNC (=O) C=CC2=CNC3=C2C=CC=C3OC

Molecular Formula

C22H24N2O3

Molecular Weight

364.4 g/mol

Controlled

Chemical Information

(E)-N-[2-(2-Ethoxyphenyl)ethyl]-3-(7-methoxy-1H-indol-3-yl)prop-2-enamide

CAS Number	2234281-75-3
PubChem CID	138319697
IUPAC Name	(E)-N-[2-(2-ethoxyphenyl)ethyl]-3-(7-methoxy-1H-indol-3-yl)prop-2-enamide
Molecular Formula	C22H24N2O3
Molecular Weight	364.4
XLogP	4
Topological Polar Surface Area	63.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	496

SMILES

CCOC1=CC=CC=C1CCNC(=O)/C=C/C2=CNC3=C2C=CC=C3OC

InChI

InChI=1S/C22H24N2O3/c1-3-27-19-9-5-4-7-16(19)13-14-23-21(25)12-11-17-15-24-22-18(17)8-6-10-20(22)26-2/h4-12,15,24H,3,13-14H2,1-2H3,(H,23,25)/b12-11+

InChIKey

CQZPBIZGVIRKOC-VAWYXSNFSA-N

Chemical Structure

2D Structure

CAS: 2234281-75-3

CID: 138319697

Formula: C22H24N2O3

MW: 364.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	364.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	364.17869263
Monoisotopic Mass	364.17869263
Topological Polar Surface Area	63.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	496
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes