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Chemical ID: 5848585

Chemical ID:

5848585

Name [?]:

N-(2,4-dimethoxyphenyl)-3,5-dimethoxy-benzamide

SMILES [?]:

COc1ccc(c(c1)OC)NC(=O)c2cc(cc(c2)OC)OC

InChi [?]:

InChI=1/C17H19NO5/c1-20-12-5-6-15(16(10-12)23-4)18-17(19)11-7-13(21-2)9-14(8-11)22-3/h5-10H,1-4H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,21,23,10,4,5,19,15,17,8,14,3,18,16,6,7,12,11,13,2,20,22,9/E:(2,3)(7,8)(13,14)(21,22)/rA:23nCOCCCCCCOCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s16;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉NO₅
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	6.79488
Area:	522.885
Solvation:	-6.27723
Coulombic:	-49.4324

Bond Count [?]

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

Chemical Properties

Molecular Weight:	317.336
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.65
LogP (Chemaxon):	2.09

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