Chemical ID: 5892246

CCC(C)NC(=O)c1cc(ccc1N2CCCC2)NC(=O)c3ccco3
Chemical ID:
5892246
Name [?]:
N-[4-pyrrolidin-1-yl-3-(sec-butylcarbamoyl)phenyl]furan-2-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCC2)NC(=O)c3ccco3
InChi [?]:
InChI=1/C20H25N3O3/c1-3-14(2)21-19(24)16-13-15(22-20(25)18-7-6-12-26-18)8-9-17(16)23-10-4-5-11-23/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,4,2,16,17,24,23,11,12,15,18,25,9,3,10,8,13,22,6,20,5,19,14,7,21,26/E:(4,5)(10,11)/rA:26cCCCCNCOCCCCCCNCCCCNCOCCCCO/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s14s17;s10;s19;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.6652
Area:583.912
Solvation:-3.93257
Coulombic:-56.9368
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:355.431
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.05
LogP (Chemaxon):2.76

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