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Chemical ID: 7299905

Chemical ID:

7299905

Name [?]:

N-(2-acetamidoethyl)-2,3,4-trimethoxy-benzamide

SMILES [?]:

CC(=O)NCCNC(=O)c1ccc(c(c1OC)OC)OC

InChi [?]:

InChI=1/C14H20N2O5/c1-9(17)15-7-8-16-14(18)10-5-6-11(19-2)13(21-4)12(10)20-3/h5-6H,7-8H2,1-4H3,(H,15,17)(H,16,18)

InChi Info:

AuxInfo=1/1/N:1,21,17,19,11,12,5,6,2,10,13,15,14,8,4,7,3,9,20,16,18/rA:21nCCONCCNCOCCCCCCOCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s14;s18;s13;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀N₂O₅
All Atoms:	41
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	5.6602
Area:	512.378
Solvation:	-7.14925
Coulombic:	-61.8609

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	296.319
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	0.27
LogP (Chemaxon):	-0.78

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