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Chemical ID: 6006909
Chemical ID:
6006909
Name [?]:
N-(3-methoxypropyl)-3-phenyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)propanamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)CN(CCCOC)C(=O)CCc2ccccc2
InChi [?]:
InChI=1/C24H31N3O4/c1-19-9-12-21(13-10-19)26-22(28)17-25-23(29)18-27(15-6-16-31-2)24(30)14-11-20-7-4-3-5-8-20/h3-5,7-10,12-13H,6,11,14-18H2,1-2H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,21,29,28,30,18,27,31,3,7,25,4,6,24,17,19,11,15,2,26,5,9,13,22,12,8,16,10,14,23,20/E:(4,5)(7,8)(9,10)(12,13)/rA:31nCCCCCCCNCOCNCOCNCCCOCCOCCCCCCCC/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;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0196 |
Area: | 730.338 |
Solvation: | -6.23882 |
Coulombic: | -65.742 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 425.521 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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