Chemical ID: 6006906

Cc1ccc(cc1)NC(=O)CNC(=O)CN(CCCOC)C(=O)CC(C)CC(C)(C)C
Chemical ID:
6006906
Name [?]:
N-(3-methoxypropyl)-3,5,5-trimethyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)hexanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)CN(CCCOC)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C24H39N3O4/c1-18-8-10-20(11-9-18)26-21(28)16-25-22(29)17-27(12-7-13-31-6)23(30)14-19(2)15-24(3,4)5/h8-11,19H,7,12-17H2,1-6H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,26,29,30,31,21,18,3,7,4,6,17,19,24,27,11,15,2,25,5,9,13,22,28,12,8,16,10,14,23,20/E:(3,4,5)(8,9)(10,11)/rA:31cCCCCCCCNCOCNCOCNCCCOCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s16;d22;s22;s24;s25;s25;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H39N3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.5873
Area:740.421
Solvation:-5.92318
Coulombic:-65.6656
Bond Count [?]
All:31
Single:25
Double:6
Rotors:16
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:433.584
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.95
LogP (Chemaxon):2.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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