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Chemical ID: 6884073
Chemical ID:
6884073
Name [?]:
N-(4-methoxyphenyl)-4-(o-tolylcarbamoylmethoxy)benzamide
SMILES [?]:
Cc1ccccc1NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C23H22N2O4/c1-16-5-3-4-6-21(16)25-22(26)15-29-20-11-7-17(8-12-20)23(27)24-18-9-13-19(28-2)14-10-18/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,4,5,3,6,15,17,23,27,14,18,24,26,11,2,16,22,25,13,7,9,19,21,8,10,20,28,12/E:(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCNCOCOCCCCCCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O4 |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.508 |
Area: | 638.148 |
Solvation: | -6.4457 |
Coulombic: | -56.8406 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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