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Chemical ID: 7119971

Chemical ID:

7119971

Name [?]:

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

SMILES [?]:

Cc1cc(cc(c1)NC(=O)CC[NH+]2CCCCC2)C

InChi [?]:

InChI=1/C16H24N2O/c1-13-10-14(2)12-15(11-13)17-16(19)6-9-18-7-4-3-5-8-18/h10-12H,3-9H2,1-2H3,(H,17,19)/p+1

InChi Info:

AuxInfo=1/1/N:1,19,16,15,17,11,14,18,12,3,7,5,2,4,6,9,8,13,10/E:(1,2)(4,5)(7,8)(11,12)(13,14)/rA:19nCCCCCCCNCOCCN+CCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	-20.2317
Area:	477.529
Solvation:	-32.1699
Coulombic:	10.5822

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:	2.7
LogP (Chemaxon):	3.08

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