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Chemical ID: 5874696
Chemical ID:
5874696
Name [?]:
N-[(3-benzyloxy-4-methoxy-phenyl)methyl]-N-sec-butyl-heptanamide
SMILES [?]:
CCCCCCC(=O)N(Cc1ccc(c(c1)OCc2ccccc2)OC)C(C)CC
InChi [?]:
InChI=1/C26H37NO3/c1-5-7-8-12-15-26(28)27(21(3)6-2)19-23-16-17-24(29-4)25(18-23)30-20-22-13-10-9-11-14-22/h9-11,13-14,16-18,21H,5-8,12,15,19-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,28,26,2,29,3,4,22,21,23,5,20,24,6,12,13,16,10,18,27,19,11,14,15,7,9,8,25,17/E:(10,11)(13,14)/rA:30cCCCCCCCONCCCCCCCOCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s14;s25;s9;s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37NO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9788 |
Area: | 694.699 |
Solvation: | -5.38867 |
Coulombic: | -33.9333 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 411.577 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.6 |
LogP (Chemaxon): | 5.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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