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Chemical ID: 5873129
Chemical ID:
5873129
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
SMILES [?]:
CCCCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(cc2)OCC
InChi [?]:
InChI=1/C24H33NO4/c1-5-7-8-24(26)25(18-20-9-12-21(13-10-20)29-6-2)16-15-19-11-14-22(27-3)23(17-19)28-4/h9-14,17H,5-8,15-16,18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,19,17,2,28,3,4,22,26,11,23,25,12,9,8,15,20,10,21,24,13,14,5,7,6,18,16,27/E:(9,10)(12,13)/rA:29nCCCCCONCCCCCCCCOCOCCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s7;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0249 |
Area: | 685.112 |
Solvation: | -7.10285 |
Coulombic: | -38.7763 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 399.523 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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