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Chemical ID: 6036808
Chemical ID:
6036808
Name [?]:
N-isopentyl-N-[2-(isopentylcarbamoyl)ethyl]-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(C)C)CCC(=O)NCCC(C)C
InChi [?]:
InChI=1/C20H34N2O3/c1-14(2)7-10-21-19(23)9-12-22(11-8-15(3)4)20(24)18-13-16(5)25-17(18)6/h13-15H,7-12H2,1-6H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:24,25,14,15,1,7,22,12,17,21,11,16,3,23,13,2,5,4,18,8,20,10,19,9,6/E:(1,2)(3,4)/rA:25nCCCCCOCCONCCCCCCCCONCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;s13;s13;s10;s16;s17;d18;s18;s20;s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H34N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1953 |
Area: | 616.122 |
Solvation: | -3.20777 |
Coulombic: | -44.7198 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 350.496 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.69 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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