Chemical ID: 6006466

Cc1ccc(cc1)NC(=O)CNC(=O)CN(CC(C)C)C(=O)C2CCCCC2
Chemical ID:
6006466
Name [?]:
N-isobutyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)CN(CC(C)C)C(=O)C2CCCCC2
InChi [?]:
InChI=1/C22H33N3O3/c1-16(2)14-25(22(28)18-7-5-4-6-8-18)15-21(27)23-13-20(26)24-19-11-9-17(3)10-12-19/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:19,20,1,26,25,27,24,28,3,7,4,6,11,17,15,18,2,23,5,9,13,21,12,8,16,10,14,22/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:28nCCCCCCCNCOCNCOCNCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s18;s16;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H33N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7277
Area:638.785
Solvation:-4.24195
Coulombic:-58.3152
Bond Count [?]
All:29
Single:23
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:387.516
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.19
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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