Chemical ID: 5198129

c1ccc(cc1)NC(=O)C(=O)NCCCCN2CC2
Chemical ID:
5198129
Name [?]:
N'-(4-aziridin-1-ylbutyl)-N-phenyl-oxamide
SMILES [?]:
c1ccc(cc1)NC(=O)C(=O)NCCCCN2CC2
InChi [?]:
InChI=1/C14H19N3O2/c18-13(15-8-4-5-9-17-10-11-17)14(19)16-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,18)(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,18,19,4,10,8,12,7,17,11,9/E:(2,3)(6,7)(10,11)/rA:19nCCCCCCNCOCONCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s10;s12;s13;s14;s15;s16;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.91362
Area:498.348
Solvation:-2.54507
Coulombic:-51.8103
Bond Count [?]
All:20
Single:15
Double:5
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:261.32
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.82
LogP (Chemaxon):0.99

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