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Chemical ID: 4060812
Chemical ID:
4060812
Name [?]:
1-butyl-3-(2-isopropylphenyl)-1-methyl-urea
SMILES [?]:
CCCCN(C)C(=O)Nc1ccccc1C(C)C
InChi [?]:
InChI=1/C15H24N2O/c1-5-6-11-17(4)15(18)16-14-10-8-7-9-13(14)12(2)3/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,18,6,2,3,13,12,14,11,4,16,15,10,7,9,5,8/E:(2,3)/rA:18nCCCCNCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1316 |
Area: | 469.507 |
Solvation: | -1.60605 |
Coulombic: | -32.3498 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 248.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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