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Chemical ID: 6720066

Chemical ID:

6720066

Name [?]:

3-(2,6-dimethyl-1-oxa-4-azoniacyclohex-4-yl)-N-(3-methoxyphenyl)-propanamide

SMILES [?]:

CC1C[NH+](CC(O1)C)CCC(=O)Nc2cccc(c2)OC

InChi [?]:

InChI=1/C16H24N2O3/c1-12-10-18(11-13(2)21-12)8-7-16(19)17-14-5-4-6-15(9-14)20-3/h4-6,9,12-13H,7-8,10-11H2,1-3H3,(H,17,19)/p+1

InChi Info:

AuxInfo=1/1/N:1,8,21,16,15,17,10,9,19,3,5,2,6,14,18,11,13,4,12,20,7/E:(1,2)(10,11)(12,13)/rA:21cCCCN+CCOCCCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₅N₂O₃₊
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	2

ZAP Information [?]

Total:	-23.3218
Area:	512.167
Solvation:	-36.126
Coulombic:	-1.02517

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	293.381
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.39
LogP (Chemaxon):	1.65

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