Chemical ID: 6009927

Cc1ccc(cc1)C(=O)N(CCN2CCCC2)CC(=O)Nc3ccon3
Chemical ID:
6009927
Name [?]:
N-(isoxazol-3-ylcarbamoylmethyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCN2CCCC2)CC(=O)Nc3ccon3
InChi [?]:
InChI=1/C19H24N4O3/c1-15-4-6-16(7-5-15)19(25)23(12-11-22-9-2-3-10-22)14-18(24)20-17-8-13-26-21-17/h4-8,13H,2-3,9-12,14H2,1H3,(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,15,16,3,7,4,6,23,14,17,12,11,24,18,2,5,22,19,8,21,26,13,10,20,9,25/E:(2,3)(4,5)(6,7)(9,10)/rA:26nCCCCCCCCONCCNCCCCCCONCCCON/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s10;s18;d19;s19;s21;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N4O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.83593
Area:579.565
Solvation:-4.65321
Coulombic:-46.1715
Bond Count [?]
All:28
Single:21
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:356.419
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.15
LogP (Chemaxon):2.01

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Descriptor Annotations

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