Chemical ID: 6032171

CCC(C)N(CCC(=O)NCc1ccco1)C(=O)c2ccoc2
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

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Descriptor Annotations

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