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Chemical ID: 7263248

Chemical ID:

7263248

Name [?]:

2-[(1-benzyl-4-piperidyl)amino]-N-(p-tolylmethyl)acetamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)CNC2CCN(CC2)Cc3ccccc3

InChi [?]:

InChI=1/C22H29N3O/c1-18-7-9-19(10-8-18)15-24-22(26)16-23-21-11-13-25(14-12-21)17-20-5-3-2-4-6-20/h2-10,21,23H,11-17H2,1H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,24,23,25,22,26,3,7,4,6,15,19,16,18,8,12,20,2,5,21,14,10,13,9,17,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCCCCCNCOCNCCCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉N₃O
All Atoms:	55
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7668
Area:	616.572
Solvation:	-3.64749
Coulombic:	-36.6065

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	351.485
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.25
LogP (Chemaxon):	2.72

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