Chemical ID: 6001799

CCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)Nc2cc(on2)C
Chemical ID:
6001799
Name [?]:
4-butyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCC)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C20H27N3O3/c1-4-6-7-16-8-10-17(11-9-16)20(25)23(12-5-2)14-19(24)21-18-13-15(3)26-22-18/h8-11,13H,4-7,12,14H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,26,2,15,3,4,6,10,7,9,14,22,17,23,5,8,21,18,11,20,25,13,19,12,24/E:(8,9)(10,11)/rA:26nCCCCCCCCCCCONCCCCCONCCCONC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s13;s17;d18;s18;s20;s21;d22;s23;d21s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5291
Area:612.74
Solvation:-3.78938
Coulombic:-43.0905
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:357.447
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.41
LogP (Chemaxon):3.96

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