Chemical ID: 6004999

Cc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)Nc3cc(on3)C
Chemical ID:
6004999
Name [?]:
4-methyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)Nc3cc(on3)C
InChi [?]:
InChI=1/C20H26N4O4/c1-15-3-5-17(6-4-15)20(26)24(8-7-23-9-11-27-12-10-23)14-19(25)21-18-13-16(2)28-22-18/h3-6,13H,7-12,14H2,1-2H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,28,3,7,4,6,12,11,14,18,15,17,24,19,2,25,5,23,20,8,22,27,13,10,21,9,16,26/E:(3,4)(5,6)(9,10)(11,12)/rA:28nCCCCCCCCONCCNCCOCCCCONCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;d20;s20;s22;s23;d24;s25;d23s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.73032
Area:617.515
Solvation:-5.70756
Coulombic:-54.0774
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.445
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.48
LogP (Chemaxon):1.59

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Descriptor Annotations

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