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Chemical ID: 5623439
Chemical ID:
5623439
Name [?]:
N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)-acetamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)COc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C20H25NO2/c1-4-5-6-17-8-10-18(11-9-17)21-20(22)14-23-19-12-7-15(2)16(3)13-19/h7-13H,4-6,14H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,2,3,4,18,6,10,7,9,17,21,14,19,20,5,8,16,12,11,13,15/E:(8,9)(10,11)/rA:23nCCCCCCCCCCNCOCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1917 |
Area: | 566.092 |
Solvation: | -3.96061 |
Coulombic: | -29.7917 |
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: | 5.59 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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