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Chemical ID: 5873135
Chemical ID:
5873135
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]hexanamide
SMILES [?]:
CCCCCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(cc2)OCC
InChi [?]:
InChI=1/C25H35NO4/c1-5-7-8-9-25(27)26(19-21-10-13-22(14-11-21)30-6-2)17-16-20-12-15-23(28-3)24(18-20)29-4/h10-15,18H,5-9,16-17,19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,20,18,2,29,3,4,5,23,27,12,24,26,13,10,9,16,21,11,22,25,14,15,6,8,7,19,17,28/E:(10,11)(13,14)/rA:30nCCCCCCONCCCCCCCCOCOCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H35NO4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6463 |
Area: | 711.104 |
Solvation: | -7.13128 |
Coulombic: | -39.0786 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 413.55 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.29 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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