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Chemical ID: 6876276
Chemical ID:
6876276
Name [?]:
4-[1-(aminocarbamoyl)ethoxy]-N-(2,3-dimethylphenyl)-benzamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(cc2)OC(C)C(=O)NN
InChi [?]:
InChI=1/C18H21N3O3/c1-11-5-4-6-16(12(11)2)20-18(23)14-7-9-15(10-8-14)24-13(3)17(22)21-19/h4-10,13H,19H2,1-3H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,20,4,3,5,13,17,14,16,2,7,19,12,15,6,21,10,24,9,23,22,11,18/E:(7,8)(9,10)/rA:24cCCCCCCCCNCOCCCCCCOCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s19;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O3 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.38998 |
Area: | 550.237 |
Solvation: | -5.36594 |
Coulombic: | -56.5431 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.378 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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