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Chemical ID: 6049978
Chemical ID:
6049978
Name [?]:
3-(m-tolyl)-1-(2-propylaminoacetyl)-imidazolidin-4-one
SMILES [?]:
CCCNCC(=O)N1CC(=O)N(C1)c2cccc(c2)C
InChi [?]:
InChI=1/C15H21N3O2/c1-3-7-16-9-14(19)17-10-15(20)18(11-17)13-6-4-5-12(2)8-13/h4-6,8,16H,3,7,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,16,17,15,3,19,5,9,13,18,14,6,10,4,8,12,7,11/rA:20nCCCNCCONCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s8s12;s12;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78138 |
Area: | 497.67 |
Solvation: | -3.66036 |
Coulombic: | -41.1124 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.16 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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