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Chemical ID: 5872763
Chemical ID:
5872763
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCc2ccc(c(c2)OC)OC)Cc3ccccc3OC
InChi [?]:
InChI=1/C26H29NO4/c1-19-9-12-21(13-10-19)26(28)27(18-22-7-5-6-8-23(22)29-2)16-15-20-11-14-24(30-3)25(17-20)31-4/h5-14,17H,15-16,18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,22,20,26,27,25,28,3,7,14,4,6,15,12,11,18,23,2,13,5,24,29,16,17,8,10,9,30,21,19/E:(9,10)(12,13)/rA:31nCCCCCCCCONCCCCCCCCOCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29NO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49895 |
Area: | 633.945 |
Solvation: | -6.34968 |
Coulombic: | -41.748 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 419.513 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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