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Chemical ID: 7277045
Chemical ID:
7277045
Name [?]:
N-(2,5-dimethylphenyl)-2-(2,3,6-trimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COc2c(ccc(c2C)C)C)C
InChi [?]:
InChI=1/C19H23NO2/c1-12-6-7-14(3)17(10-12)20-18(21)11-22-19-15(4)9-8-13(2)16(19)5/h6-10H,11H2,1-5H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,22,21,19,3,4,16,15,7,11,2,17,5,14,18,6,9,13,8,10,12/rA:22nCCCCCCCNCOCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s17;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.32895 |
Area: | 516.677 |
Solvation: | -3.58798 |
Coulombic: | -29.3379 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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