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Chemical ID: 3965928
Chemical ID:
3965928
Name [?]:
3-[3-acetyl-4-(2-hydroxy-3-tert-butylamino-propoxy)-phenyl]-1,1-diethyl-urea
SMILES [?]:
CCN(CC)C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O
InChi [?]:
InChI=1/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,5,17,24,25,26,2,4,10,11,14,21,19,15,9,20,13,12,6,23,22,8,3,16,27,7,18/E:(1,2)(4,5,6)(7,8)/rA:27cCCNCCCONCCCCCCCOCOCCCNCCCCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;s18;s19;s20;s21;s22;s23;s23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H33N3O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.41088 |
Area: | 642.786 |
Solvation: | -7.65876 |
Coulombic: | -66.6197 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 379.494 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.41 |
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.
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