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Chemical ID: 6006906
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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