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Chemical ID: 4282907

Chemical ID:

4282907

Name [?]:

2,4-dimethoxy-N-(3-methoxyphenyl)-benzamide

SMILES [?]:

COc1cccc(c1)NC(=O)c2ccc(cc2OC)OC

InChi [?]:

InChI=1/C16H17NO4/c1-19-12-6-4-5-11(9-12)17-16(18)14-8-7-13(20-2)10-15(14)21-3/h4-10H,1-3H3,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,21,19,5,6,4,14,13,8,16,7,3,15,12,17,10,9,11,2,20,18/rA:21nCOCCCCCCNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇NO₄
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	5.49078
Area:	484.469
Solvation:	-6.62095
Coulombic:	-41.2089

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	287.311
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.74
LogP (Chemaxon):	2.34

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