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Chemical ID: 5873130
Chemical ID:
5873130
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]benzamide
SMILES [?]:
CCOc1ccc(cc1)CN(CCc2ccc(c(c2)OC)OC)C(=O)c3ccccc3
InChi [?]:
InChI=1/C26H29NO4/c1-4-31-23-13-10-21(11-14-23)19-27(26(28)22-8-6-5-7-9-22)17-16-20-12-15-24(29-2)25(18-20)30-3/h5-15,18H,4,16-17,19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,2,29,28,30,27,31,6,8,15,5,9,16,13,12,19,10,14,7,26,4,17,18,24,11,25,22,20,3/E:(6,7)(8,9)(10,11)(13,14)/rA:31nCCOCCCCCCCNCCCCCCCCOCOCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s11;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29NO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66862 |
Area: | 665.397 |
Solvation: | -6.9663 |
Coulombic: | -41.549 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 419.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.05 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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