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Chemical ID: 6396216
Chemical ID:
6396216
Name [?]:
N-[12-(2-furylcarbonylamino)dodecyl]furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)NCCCCCCCCCCCCNC(=O)c2ccco2
InChi [?]:
InChI=1/C22H32N2O4/c25-21(19-13-11-17-27-19)23-15-9-7-5-3-1-2-4-6-8-10-16-24-22(26)20-14-12-18-28-20/h11-14,17-18H,1-10,15-16H2,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:14,15,13,16,12,17,11,18,10,19,1,26,2,25,9,20,5,27,3,24,6,22,8,21,7,23,4,28/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/gE:(1,2)/rA:28nCCCOCCONCCCCCCCCCCCCNCOCCCCO/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H32N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5733 |
Area: | 730.558 |
Solvation: | -3.69065 |
Coulombic: | -63.0369 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 388.501 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.89 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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