Chemical ID: 6007687

CCCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)Nc2ccon2
Chemical ID:
6007687
Name [?]:
N-(isoxazol-3-ylcarbamoylmethyl)-4-pentyl-N-propyl-benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)Nc2ccon2
InChi [?]:
InChI=1/C20H27N3O3/c1-3-5-6-7-16-8-10-17(11-9-16)20(25)23(13-4-2)15-19(24)21-18-12-14-26-22-18/h8-12,14H,3-7,13,15H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,3,4,5,7,11,8,10,23,15,24,18,6,9,22,19,12,21,26,14,20,13,25/E:(8,9)(10,11)/rA:26nCCCCCCCCCCCCONCCCCCONCCCON/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14;s18;d19;s19;s21;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3959
Area:614.387
Solvation:-3.96379
Coulombic:-43.2161
Bond Count [?]
All:27
Single:20
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:357.447
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.74
LogP (Chemaxon):4.34

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