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Chemical ID: 6876287
Chemical ID:
6876287
Name [?]:
4-[1-(aminocarbamoyl)ethoxy]-N-(o-tolyl)benzamide
SMILES [?]:
Cc1ccccc1NC(=O)c2ccc(cc2)OC(C)C(=O)NN
InChi [?]:
InChI=1/C17H19N3O3/c1-11-5-3-4-6-15(11)19-17(22)13-7-9-14(10-8-13)23-12(2)16(21)20-18/h3-10,12H,18H2,1-2H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,4,5,3,6,12,16,13,15,2,18,11,14,7,20,9,23,8,22,21,10,17/E:(7,8)(9,10)/rA:23cCCCCCCCNCOCCCCCCOCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s18;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O3 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.95173 |
Area: | 533.03 |
Solvation: | -5.37403 |
Coulombic: | -56.7521 |
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: | 1.83 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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