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Chemical ID: 6664697
Chemical ID:
6664697
Name [?]:
3-(2,5-dimethoxyphenyl)-1,1-dipropyl-urea
SMILES [?]:
CCCN(CCC)C(=O)Nc1cc(ccc1OC)OC
InChi [?]:
InChI=1/C15H24N2O3/c1-5-9-17(10-6-2)15(18)16-13-11-12(19-3)7-8-14(13)20-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,20,18,2,6,14,15,3,5,12,13,11,16,8,10,4,9,19,17/E:(1,2)(5,6)(9,10)/rA:20nCCCNCCCCONCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48066 |
Area: | 503.311 |
Solvation: | -4.10212 |
Coulombic: | -45.1332 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 280.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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