Chemical ID: 4084419

CCc1cccc(c1NC(=O)c2ccc(cc2)C(C)(C)C)C
Chemical ID:
4084419
Name [?]:
N-(2-ethyl-6-methyl-phenyl)-4-tert-butyl-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)c2ccc(cc2)C(C)(C)C)C
InChi [?]:
InChI=1/C20H25NO/c1-6-15-9-7-8-14(2)18(15)21-19(22)16-10-12-17(13-11-16)20(3,4)5/h7-13H,6H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,19,20,21,2,5,6,4,13,17,14,16,7,3,12,15,8,10,18,9,11/E:(3,4,5)(10,11)(12,13)/rA:22nCCCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.9994
Area:510.24
Solvation:-1.75659
Coulombic:-24.5906
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.419
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.73
LogP (Chemaxon):4.76

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Descriptor Annotations

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