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Chemical ID: 7134904

Chemical ID:

7134904

Name [?]:

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

SMILES [?]:

Cc1ccccc1NC(=O)CC[NH+]2CCC(CC2)C

InChi [?]:

InChI=1/C16H24N2O/c1-13-7-10-18(11-8-13)12-9-16(19)17-15-6-4-3-5-14(15)2/h3-6,13H,7-12H2,1-2H3,(H,17,19)/p+1

InChi Info:

AuxInfo=1/1/N:19,1,4,5,3,6,15,17,11,14,18,12,16,2,7,9,8,13,10/E:(7,8)(10,11)/rA:19nCCCCCCCNCOCCN+CCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₅N₂O+
All Atoms:	44
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.3272
Area:	473.958
Solvation:	-32.1762
Coulombic:	9.89964

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	261.383
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.56
LogP (Chemaxon):	2.29

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value