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Chemical ID: 5499384
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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