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Chemical ID: 7477739
Chemical ID:
7477739
Name [?]:
2-(3,4-dimethylphenoxy)-N-[3-[2-(3,4-dimethylphenoxy)acetyl]aminopropyl]acetamide
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)NCCCNC(=O)COc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C23H30N2O4/c1-16-6-8-20(12-18(16)3)28-14-22(26)24-10-5-11-25-23(27)15-29-21-9-7-17(2)19(4)13-21/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,29,8,28,15,3,24,4,23,14,16,6,27,10,20,2,25,7,26,5,22,11,18,13,17,12,19,9,21/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:29nCCCCCCCCOCCONCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;s15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O4 |
All Atoms: | 59 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0545 |
Area: | 697.135 |
Solvation: | -7.37392 |
Coulombic: | -56.4161 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 398.495 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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