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Chemical ID: 6711710

Chemical ID:

6711710

Name [?]:

N-(m-tolyl)-3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propanamide

SMILES [?]:

Cc1cccc(c1)NC(=O)CC[NH+]2CCCCC2

InChi [?]:

InChI=1/C15H22N2O/c1-13-6-5-7-14(12-13)16-15(18)8-11-17-9-3-2-4-10-17/h5-7,12H,2-4,8-11H2,1H3,(H,16,18)/p+1

InChi Info:

AuxInfo=1/1/N:1,16,15,17,4,3,5,11,14,18,12,7,2,6,9,8,13,10/E:(3,4)(9,10)/rA:18nCCCCCCCNCOCCN+CCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃N₂O+
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.877
Area:	454.921
Solvation:	-32.2501
Coulombic:	10.3727

Bond Count [?]

All:	19
Single:	15
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	247.356
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.26
LogP (Chemaxon):	2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value