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Chemical ID: 6876257

Chemical ID:

6876257

Name [?]:

4-(aminocarbamoylmethoxy)-N-(2,3-dimethylphenyl)-benzamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2ccc(cc2)OCC(=O)NN

InChi [?]:

InChI=1/C17H19N3O3/c1-11-4-3-5-15(12(11)2)19-17(22)13-6-8-14(9-7-13)23-10-16(21)20-18/h3-9H,10,18H2,1-2H3,(H,19,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,8,4,3,5,13,17,14,16,19,2,7,12,15,6,20,10,23,9,22,21,11,18/E:(6,7)(8,9)/rA:23nCCCCCCCCNCOCCCCCCOCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O₃
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.5667
Area:	533.559
Solvation:	-5.77228
Coulombic:	-55.4162

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	313.351
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	1.74
LogP (Chemaxon):	1.8

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