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Chemical ID: 6876261
Chemical ID:
6876261
Name [?]:
4-(aminocarbamoylmethoxy)-N-(2-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)NN
InChi [?]:
InChI=1/C17H19N3O4/c1-2-23-15-6-4-3-5-14(15)19-17(22)12-7-9-13(10-8-12)24-11-16(21)20-18/h3-10H,2,11,18H2,1H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,14,18,15,17,20,13,16,9,4,21,11,24,10,23,22,12,3,19/E:(7,8)(9,10)/rA:24nCCOCCCCCCNCOCCCCCCOCCONN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O4 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43572 |
Area: | 561.107 |
Solvation: | -6.59196 |
Coulombic: | -63.4225 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.351 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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