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Chemical ID: 6711672

Chemical ID:

6711672

Name [?]:

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

SMILES [?]:

CCOc1ccc(cc1)NC(=O)CC[NH+]2CCCCC2

InChi [?]:

InChI=1/C16H24N2O2/c1-2-20-15-8-6-14(7-9-15)17-16(19)10-13-18-11-4-3-5-12-18/h6-9H,2-5,10-13H2,1H3,(H,17,19)/p+1

InChi Info:

AuxInfo=1/1/N:1,2,18,17,19,6,8,5,9,13,16,20,14,7,4,11,10,15,12,3/E:(4,5)(6,7)(8,9)(11,12)/rA:20nCCOCCCCCCNCOCCN+CCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₅N₂O₂₊
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	-21.516
Area:	498.431
Solvation:	-33.9768
Coulombic:	4.22063

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	277.382
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.16
LogP (Chemaxon):	2.23

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