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Chemical ID: 4152269
Chemical ID:
4152269
Name [?]:
N-(2,5-dimethylphenyl)-2-(4-isopropyl-3-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2ccc(c(c2)C)C(C)C)C
InChi [?]:
InChI=1/C20H25NO2/c1-13(2)18-9-8-17(11-16(18)5)23-12-20(22)21-19-10-14(3)6-7-15(19)4/h6-11,13H,12H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:21,22,1,23,19,3,4,14,15,7,18,11,20,2,5,17,13,16,6,9,8,10,12/E:(1,2)/rA:23nCCCCCCCNCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76352 |
Area: | 546.495 |
Solvation: | -3.89886 |
Coulombic: | -29.4314 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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