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Chemical ID: 6948272
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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