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Chemical ID: 6965249
Chemical ID:
6965249
Name [?]:
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)acetyl]aminophenyl]-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccccc2NC(=O)COc3cccc(c3)C
InChi [?]:
InChI=1/C24H24N2O4/c1-17-7-5-9-19(13-17)29-15-23(27)25-21-11-3-4-12-22(21)26-24(28)16-30-20-10-6-8-18(2)14-20/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,15,16,4,26,3,27,5,25,14,17,7,29,9,22,2,28,6,24,13,18,10,20,12,19,11,21,8,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCCCCCCCOCCONCCCCCCNCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36531 |
Area: | 666.711 |
Solvation: | -7.30247 |
Coulombic: | -56.774 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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