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Chemical ID: 6603156
Chemical ID:
6603156
Name [?]:
N-(2,5-diethoxy-4-morpholino-phenyl)-2-(4-methylphenoxy)-acetamide
SMILES [?]:
CCOc1cc(c(cc1N2CCOCC2)OCC)NC(=O)COc3ccc(cc3)C
InChi [?]:
InChI=1/C23H30N2O5/c1-4-28-21-15-20(25-10-12-27-13-11-25)22(29-5-2)14-19(21)24-23(26)16-30-18-8-6-17(3)7-9-18/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:18,1,30,17,2,26,28,25,29,11,15,12,14,5,8,22,27,24,6,9,7,4,20,19,10,21,13,16,3,23/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCOCCCCCCNCCOCCOCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s7;s16;s17;s6;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.05664 |
Area: | 667.022 |
Solvation: | -7.61891 |
Coulombic: | -57.1676 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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