Chemical ID: 6002123

CCCCCCc1ccc(cc1)C(=O)N(CCC(C)C)CC(=O)Nc2cc(on2)C
Chemical ID:
6002123
Name [?]:
4-hexyl-N-isopentyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N(CCC(C)C)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C24H35N3O3/c1-5-6-7-8-9-20-10-12-21(13-11-20)24(29)27(15-14-18(2)3)17-23(28)25-22-16-19(4)30-26-22/h10-13,16,18H,5-9,14-15,17H2,1-4H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,19,20,30,2,3,4,5,6,8,12,9,11,17,16,26,21,18,27,7,10,25,22,13,24,29,15,23,14,28/E:(2,3)(10,11)(12,13)/rA:30nCCCCCCCCCCCCCONCCCCCCCONCCCONC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s18;s15;s21;d22;s22;s24;s25;d26;s27;d25s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.9272
Area:708.623
Solvation:-3.78835
Coulombic:-44.2802
Bond Count [?]
All:31
Single:24
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:413.553
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.62
LogP (Chemaxon):5.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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