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Chemical ID: 7041495
Chemical ID:
7041495
Name [?]:
N-benzyl-N,3,5,6-tetramethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1cc2c(c(oc2cc1C)C(=O)N(C)Cc3ccccc3)C
InChi [?]:
InChI=1/C20H21NO2/c1-13-10-17-15(3)19(23-18(17)11-14(13)2)20(22)21(4)12-16-8-6-5-7-9-16/h5-11H,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,23,15,20,19,21,18,22,3,9,16,2,10,5,17,4,8,6,12,14,13,7/E:(6,7)(8,9)/rA:23nCCCCCCOCCCCCONCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s10;s6;d12;s12;s14;s14;s16;s17;d18;s19;d20;d17s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO2 |
All Atoms: | 44 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6872 |
Area: | 498.915 |
Solvation: | -1.78563 |
Coulombic: | -29.4894 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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