Chemical ID: 5444499

Cc1c2cc(ccc2oc1C(=O)NC(C)(C)C)OC
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

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Descriptor Annotations

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