Chemical ID: 6948272

CCC(C)c1ccccc1NC(=O)COc2cc(ccc2C(C)C)C
Chemical ID:
6948272
Name [?]:
2-(2-isopropyl-5-methyl-phenoxy)-N-(2-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COc2cc(ccc2C(C)C)C
InChi [?]:
InChI=1/C22H29NO2/c1-6-17(5)19-9-7-8-10-20(19)23-22(24)14-25-21-13-16(4)11-12-18(21)15(2)3/h7-13,15,17H,6,14H2,1-5H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,4,2,7,8,6,9,19,20,17,14,22,18,3,21,5,10,16,12,11,13,15/E:(2,3)/rA:25cCCCCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H29NO2
All Atoms:54
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.9998
Area:592.991
Solvation:-3.82494
Coulombic:-30.8615
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:339.471
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.07
LogP (Chemaxon):5.48

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Descriptor Annotations

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