KN3014

CAT: 0127-OR1078632-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1078632-02Size:50 mg

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CAS Number

921902-48-9

Synonyms

N-[2- (1-Methyl-1,2,3,4-tetrahydroquinolin-6-yl) -2- (piperidin-1-yl) ethyl]-2- (o-tolyloxy) acetamide / 2- (2-Methylphenoxy) -N-[2- (1-methyl-1,2,3,4-tetrahydro-6-quinolinyl) -2- (1-piperidinyl) ethyl]acetamide

Purity

>98.0%

Smiles

CC1=CC=CC=C1OCC (=O) NCC (C2=CC3=C (C=C2) N (CCC3) C) N4CCCCC4

Chemical Information

N-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(piperidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

CAS Number	921902-48-9
PubChem CID	44025236
IUPAC Name	N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
Molecular Formula	C26H35N3O2
Molecular Weight	421.6
XLogP	4.5
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	565

SMILES

CC1=CC=CC=C1OCC(=O)NCC(C2=CC3=C(C=C2)N(CCC3)C)N4CCCCC4

InChI

InChI=1S/C26H35N3O2/c1-20-9-4-5-11-25(20)31-19-26(30)27-18-24(29-15-6-3-7-16-29)22-12-13-23-21(17-22)10-8-14-28(23)2/h4-5,9,11-13,17,24H,3,6-8,10,14-16,18-19H2,1-2H3,(H,27,30)

InChIKey

SUNANFOAODNPMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 921902-48-9

CID: 44025236

Formula: C26H35N3O2

MW: 421.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	421.6
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	421.27292737
Monoisotopic Mass	421.27292737
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	565
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

KN3014

Chemical Information

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