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Chemical ID: 7487728
Chemical ID:
7487728
Name [?]:
N-[4-methyl-3-[2-(3-methylphenoxy)acetyl]amino-phenyl]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(c(c2)NC(=O)COc3cccc(c3)C)C
InChi [?]:
InChI=1/C25H26N2O4/c1-17-6-4-8-21(12-17)30-15-24(28)26-20-11-10-19(3)23(14-20)27-25(29)16-31-22-9-5-7-18(2)13-22/h4-14H,15-16H2,1-3H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,31,4,26,3,27,5,25,15,14,7,29,18,9,22,2,28,16,13,6,24,17,10,20,12,19,11,21,8,23/rA:31nCCCCCCCOCCONCCCCCCNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s28;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92571 |
Area: | 688.556 |
Solvation: | -7.28819 |
Coulombic: | -56.0693 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 418.485 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.43 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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