Chemical ID: 5499384

COc1ccc(c(c1)NC(=O)C2CC(=O)N(C2)C3CCCCC3)OC
Chemical ID:
5499384
Name [?]:
1-cyclohexyl-N-(2,5-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
COc1ccc(c(c1)NC(=O)C2CC(=O)N(C2)C3CCCCC3)OC
InChi [?]:
InChI=1/C19H26N2O4/c1-24-15-8-9-17(25-2)16(11-15)20-19(23)13-10-18(22)21(12-13)14-6-4-3-5-7-14/h8-9,11,13-14H,3-7,10,12H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,25,21,20,22,19,23,4,5,13,8,17,12,18,3,7,6,14,10,9,16,15,11,2,24/E:(4,5)(6,7)/rA:25cCOCCCCCCNCOCCCONCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;d14;s14;s12s16;s16;s18;s19;s20;s21;s18s22;s6;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.46014
Area:556.284
Solvation:-5.44695
Coulombic:-49.2249
Bond Count [?]
All:27
Single:22
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:346.421
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.9
LogP (Chemaxon):1.7

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