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Chemical ID: 4492996
Chemical ID:
4492996
Name [?]:
N-(4-butylphenyl)-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)COc2c(cccc2C)C
InChi [?]:
InChI=1/C20H25NO2/c1-4-5-9-17-10-12-18(13-11-17)21-19(22)14-23-20-15(2)7-6-8-16(20)3/h6-8,10-13H,4-5,9,14H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,2,3,19,20,18,4,6,10,7,9,14,21,17,5,8,12,16,11,13,15/E:(2,3)(7,8)(10,11)(12,13)(15,16)/rA:23nCCCCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3524 |
Area: | 559.832 |
Solvation: | -3.64335 |
Coulombic: | -30.5526 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.17 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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