Chemical ID: 6006371

CCCCCC(=O)N(CC(C)C)CC(=O)NCC(=O)Nc1ccc(cc1)OC
Chemical ID:
6006371
Name [?]:
N-isobutyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(C)C)CC(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C21H33N3O4/c1-5-6-7-8-21(27)24(14-16(2)3)15-20(26)22-13-19(25)23-17-9-11-18(28-4)12-10-17/h9-12,16H,5-8,13-15H2,1-4H3,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,11,12,28,2,3,4,5,22,26,23,25,17,9,13,10,21,24,18,14,6,16,20,8,19,15,7,27/E:(2,3)(9,10)(11,12)/rA:28nCCCCCCONCCCCCCONCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s10;s8;s13;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H33N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5612
Area:677.734
Solvation:-5.38213
Coulombic:-64.9031
Bond Count [?]
All:28
Single:22
Double:6
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:391.505
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.72
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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