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Chemical ID: 4017272
Chemical ID:
4017272
Name [?]:
1-cyclohexyl-3-(2-methoxyphenyl)-1-methyl-urea
SMILES [?]:
CN(C1CCCCC1)C(=O)Nc2ccccc2OC
InChi [?]:
InChI=1/C15H22N2O2/c1-17(12-8-4-3-5-9-12)15(18)16-13-10-6-7-11-14(13)19-2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,6,5,7,14,15,4,8,13,16,3,12,17,9,11,2,10,18/E:(4,5)(8,9)/rA:19nCNCCCCCCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94591 |
Area: | 458.116 |
Solvation: | -2.50699 |
Coulombic: | -39.3817 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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