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Chemical ID: 5869162

Chemical ID:

5869162

Name [?]:

4-benzyloxy-N,N-diethyl-3-methoxy-benzamide

SMILES [?]:

CCN(CC)C(=O)c1ccc(c(c1)OC)OCc2ccccc2

InChi [?]:

InChI=1/C19H23NO3/c1-4-20(5-2)19(21)16-11-12-17(18(13-16)22-3)23-14-15-9-7-6-8-10-15/h6-13H,4-5,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,15,2,4,21,20,22,19,23,9,10,13,17,18,8,11,12,6,3,7,14,16/E:(1,2)(4,5)(7,8)(9,10)/rA:23nCCNCCCOCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃NO₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.26741
Area:	540.559
Solvation:	-5.24656
Coulombic:	-33.1762

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	313.391
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.69
LogP (Chemaxon):	3.15

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