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Chemical ID: 6032171
Chemical ID:
6032171
Name [?]:
N-[2-(2-furylmethylcarbamoyl)ethyl]-N-sec-butyl-furan-3-carboxamide
SMILES [?]:
CCC(C)N(CCC(=O)NCc1ccco1)C(=O)c2ccoc2
InChi [?]:
InChI=1/C17H22N2O4/c1-3-13(2)19(17(21)14-7-10-22-12-14)8-6-16(20)18-11-15-5-4-9-23-15/h4-5,7,9-10,12-13H,3,6,8,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,14,13,7,20,6,15,21,11,23,3,19,12,8,17,10,5,9,18,22,16/rA:23cCCCCNCCCONCCCCCOCOCCCOC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s5;d17;s17;s19;d20;s21;d19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.90782 |
Area: | 541.598 |
Solvation: | -4.63213 |
Coulombic: | -50.1153 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 318.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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