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Chemical ID: 6876293
Chemical ID:
6876293
Name [?]:
4-[1-(aminocarbamoyl)ethoxy]-N-(4-methoxyphenyl)-benzamide
SMILES [?]:
CC(C(=O)NN)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H19N3O4/c1-11(16(21)20-18)24-15-7-3-12(4-8-15)17(22)19-13-5-9-14(23-2)10-6-13/h3-11H,18H2,1-2H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,10,12,18,22,9,13,19,21,2,11,17,20,8,3,14,6,16,5,4,15,23,7/E:(3,4)(5,6)(7,8)(9,10)/rA:24cCCCONNOCCCCCCCONCCCCCCOC/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O4 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.15641 |
Area: | 551.949 |
Solvation: | -6.64232 |
Coulombic: | -63.0644 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.351 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 1.52 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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