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Chemical ID: 5444499
Chemical ID:
5444499
Name [?]:
5-methoxy-3-methyl-N-tert-butyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)NC(C)(C)C)OC
InChi [?]:
InChI=1/C15H19NO3/c1-9-11-8-10(18-5)6-7-12(11)19-13(9)14(17)16-15(2,3)4/h6-8H,1-5H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,17,19,6,7,4,2,5,3,8,10,11,14,13,12,18,9/E:(2,3,4)/rA:19nCCCCCCCCOCCONCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s14;s14;s5;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51784 |
Area: | 452.003 |
Solvation: | -2.78223 |
Coulombic: | -38.4774 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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