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Chemical ID: 3960725
Chemical ID:
3960725
Name [?]:
N-(2,6-dimethylphenyl)-N'-tert-butyl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)N2CCCC2C(=O)NC(C)(C)C)C
InChi [?]:
InChI=1/C18H27N3O2/c1-12-8-6-9-13(2)15(12)19-17(23)21-11-7-10-14(21)16(22)20-18(3,4)5/h6,8-9,14H,7,10-11H2,1-5H3,(H,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,20,21,22,4,13,3,5,14,12,2,6,15,7,16,9,19,8,18,11,17,10/E:(1,2)(3,4,5)(8,9)(12,13)/rA:23cCCCCCCCNCONCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;s19;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.64216 |
Area: | 516.365 |
Solvation: | -3.26697 |
Coulombic: | -51.0331 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.426 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.59 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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