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Chemical ID: 6664899
Chemical ID:
6664899
Name [?]:
1,1-dibutyl-3-(p-tolyl)urea
SMILES [?]:
CCCCN(CCCC)C(=O)Nc1ccc(cc1)C
InChi [?]:
InChI=1/C16H26N2O/c1-4-6-12-18(13-7-5-2)16(19)17-15-10-8-14(3)9-11-15/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,9,19,2,8,3,7,15,17,14,18,4,6,16,13,10,12,5,11/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:19nCCCCNCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1286 |
Area: | 510.83 |
Solvation: | -1.64217 |
Coulombic: | -32.4349 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 262.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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