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Chemical ID: 5228842

Chemical ID:

5228842

Name [?]:

4-methoxy-N-[2-[2-(1-methyl-2-piperidyl)ethyl]phenyl]-benzamide

SMILES [?]:

CN1CCCCC1CCc2ccccc2NC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,26,12,13,5,4,11,6,14,9,20,24,8,21,23,3,10,19,7,22,15,17,16,2,18,25/E:(11,12)(14,15)/rA:26cCNCCCCCCCCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	2

ZAP Information [?]

Total:	10.6568
Area:	570.412
Solvation:	-3.60347
Coulombic:	-35.2307

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	352.47
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.08
LogP (Chemaxon):	4.18

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value