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Chemical ID: 6656199
Chemical ID:
6656199
Name [?]:
1,1-dibutyl-3-(4-isopropylphenyl)-urea
SMILES [?]:
CCCCN(CCCC)C(=O)Nc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C18H30N2O/c1-5-7-13-20(14-8-6-2)18(21)19-17-11-9-16(10-12-17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,9,20,21,2,8,3,7,15,17,14,18,4,6,19,16,13,10,12,5,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:21nCCCCNCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H30N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2588 |
Area: | 555.662 |
Solvation: | -1.63273 |
Coulombic: | -33.0803 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 290.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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