Chemical ID: 3965928

CCN(CC)C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O
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

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