Chemical ID: 3960575

CCc1ccccc1NC(=O)N2CCCC2C(=O)NC(C)(C)C
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

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