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Chemical ID: 6036789
Chemical ID:
6036789
Name [?]:
N-[2-(isobutylcarbamoyl)ethyl]-N-isopentyl-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(C)C)CCC(=O)NCC(C)C
InChi [?]:
InChI=1/C19H32N2O3/c1-13(2)7-9-21(10-8-18(22)20-12-14(3)4)19(23)17-11-15(5)24-16(17)6/h11,13-14H,7-10,12H2,1-6H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:14,15,23,24,1,7,12,17,11,16,3,21,13,22,2,5,4,18,8,20,10,19,9,6/E:(1,2)(3,4)/rA:24nCCCCCOCCONCCCCCCCCONCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;s13;s13;s10;s16;s17;d18;s18;s20;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4995 |
Area: | 587.468 |
Solvation: | -3.18725 |
Coulombic: | -44.443 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 336.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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