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Chemical ID: 5189270
Chemical ID:
5189270
Name [?]:
1-ethyl-1-(m-tolyl)-3-tert-butyl-urea
SMILES [?]:
CCN(c1cccc(c1)C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C14H22N2O/c1-6-16(13(17)15-14(3,4)5)12-9-7-8-11(2)10-12/h7-10H,6H2,1-5H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,10,15,16,17,2,6,7,5,9,8,4,11,14,13,3,12/E:(3,4,5)/rA:17nCCNCCCCCCCCONCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s3;d11;s11;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2687 |
Area: | 435.87 |
Solvation: | -1.62805 |
Coulombic: | -31.342 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.337 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.22 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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