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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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Experimental Annotations
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Descriptor Annotations
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