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Chemical ID: 5187111
Chemical ID:
5187111
Name [?]:
2-(3,4-dimethoxycyclohexyl)ethylurea
SMILES [?]:
COC1CCC(CC1OC)CCNC(=O)N
InChi [?]:
InChI=1/C11H22N2O3/c1-15-9-4-3-8(7-10(9)16-2)5-6-13-11(12)14/h8-10H,3-7H2,1-2H3,(H3,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,11,12,7,6,3,8,14,16,13,15,2,9/rA:16cCOCCCCCCOCCCNCON/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s6;s11;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.72196 |
Area: | 433.336 |
Solvation: | -5.11145 |
Coulombic: | -53.7634 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 230.304 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -0.02 |
LogP (Chemaxon): | -0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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