Chemical ID: 4245251

CCN(c1ccccc1)C(=O)c2c(c3cc(c(cc3o2)C)C)C
Chemical ID:
4245251
Name [?]:
N-ethyl-3,5,6-trimethyl-N-phenyl-benzofuran-2-carboxamide
SMILES [?]:
CCN(c1ccccc1)C(=O)c2c(c3cc(c(cc3o2)C)C)C
InChi [?]:
InChI=1/C20H21NO2/c1-5-21(16-9-7-6-8-10-16)20(22)19-15(4)17-11-13(2)14(3)12-18(17)23-19/h6-12H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,2,7,6,8,5,9,15,18,16,17,13,4,14,19,12,10,3,11,20/E:(7,8)(9,10)/rA:23nCCNCCCCCCCOCCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9928
Area:503.556
Solvation:-1.59606
Coulombic:-28.7676
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:4.63
LogP (Chemaxon):4.96

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Descriptor Annotations

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