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Chemical ID: 4083663
Chemical ID:
4083663
Name [?]:
N-(3,4-dimethylphenyl)-3,4,5-trimethoxy-benzamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C18H21NO4/c1-11-6-7-14(8-12(11)2)19-18(20)13-9-15(21-3)17(23-5)16(10-13)22-4/h6-10H,1-5H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,19,23,21,3,4,6,17,13,2,7,12,5,16,14,15,10,9,11,18,22,20/E:(3,4)(9,10)(15,16)(21,22)/rA:23nCCCCCCCCNCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s14;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75833 |
Area: | 524.452 |
Solvation: | -6.35297 |
Coulombic: | -42.3569 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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