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Chemical ID: 5578182
Chemical ID:
5578182
Name [?]:
N-[benzamido-(4-ethoxy-3-methoxy-phenyl)-methyl]benzamide
SMILES [?]:
CCOc1ccc(cc1OC)C(NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H24N2O4/c1-3-30-20-15-14-19(16-21(20)29-2)22(25-23(27)17-10-6-4-7-11-17)26-24(28)18-12-8-5-9-13-18/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,11,2,19,28,18,20,27,29,17,21,26,30,6,5,8,16,25,7,4,9,12,14,23,13,22,15,24,10,3/E:(4,5)(6,7,8,9)(10,11,12,13)(17,18)(23,24)(25,26)(27,28)/gE:(1,2)/rA:30nCCOCCCCCCOCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s12;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61252 |
Area: | 649.87 |
Solvation: | -6.63424 |
Coulombic: | -60.2142 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.58 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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