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Chemical ID: 6970138
Chemical ID:
6970138
Name [?]:
N-[4-(acetyl-methyl-amino)phenyl]-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2)N(C)C(=O)C)C(C)C
InChi [?]:
InChI=1/C21H26N2O3/c1-14(2)19-11-6-15(3)12-20(19)26-13-21(25)22-17-7-9-18(10-8-17)23(5)16(4)24/h6-12,14H,13H2,1-5H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:25,26,1,23,20,3,14,18,15,17,4,7,9,24,2,21,13,16,5,6,10,12,19,22,11,8/E:(1,2)(7,8)(9,10)/rA:26nCCCCCCCOCCONCCCCCCNCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;d21;s21;s5;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O3 |
All Atoms: | 52 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50993 |
Area: | 596.203 |
Solvation: | -5.39514 |
Coulombic: | -42.9719 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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