Rametimide impurity 16

CAT: 0013-GTR19280753-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19280753-01Size:10 mg

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Description

Rametimide impurity 16 is an impurity of Rametimide.

CAS Number

1365920-11-1

Smiles

O=C (NCC=C1C=2C (=CC=C3OCCC32) CC1) CC

Molecular Formula

C16H19NO2

Molecular Weight

257.33

Notes

For research use only.

Chemical Information

N-[2-(1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)ethyl]propanamide

CAS Number	1365920-11-1
PubChem CID	66801808
IUPAC Name	N-[2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide
Molecular Formula	C16H19NO2
Molecular Weight	257.33
XLogP	2.1
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	377

SMILES

CCC(=O)NCC=C1CCC2=C1C3=C(C=C2)OCC3

InChI

InChI=1S/C16H19NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-7H,2-4,8-10H2,1H3,(H,17,18)

InChIKey

MJDOFSUSDKUIOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1365920-11-1

CID: 66801808

Formula: C16H19NO2

MW: 257.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.33
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	257.141578849
Monoisotopic Mass	257.141578849
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	377
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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