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Chemical ID: 3960575
Chemical ID:
3960575
Name [?]:
N-(2-ethylphenyl)-N'-tert-butyl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CCc1ccccc1NC(=O)N2CCCC2C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C18H27N3O2/c1-5-13-9-6-7-10-14(13)19-17(23)21-12-8-11-15(21)16(22)20-18(2,3)4/h6-7,9-10,15H,5,8,11-12H2,1-4H3,(H,19,23)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,2,5,6,14,4,7,15,13,3,8,16,17,10,20,9,19,12,18,11/E:(2,3,4)/rA:23cCCCCCCCCNCONCCCCCONCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0267 |
Area: | 525.466 |
Solvation: | -3.10996 |
Coulombic: | -51.7591 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.426 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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