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Chemical ID: 6731833
Chemical ID:
6731833
Name [?]:
1-(1-acetyl-4-piperidyl)-1-cyclopentyl-3-(m-tolyl)urea
SMILES [?]:
Cc1cccc(c1)NC(=O)N(C2CCCC2)C3CCN(CC3)C(=O)C
InChi [?]:
InChI=1/C20H29N3O2/c1-15-6-5-7-17(14-15)21-20(25)23(18-8-3-4-9-18)19-10-12-22(13-11-19)16(2)24/h5-7,14,18-19H,3-4,8-13H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,25,14,15,4,3,5,13,16,18,22,19,21,7,2,23,6,12,17,9,8,20,11,24,10/E:(3,4)(8,9)(10,11)(12,13)/rA:25nCCCCCCCNCONCCCCCCCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s12s15;s11;s17;s18;s19;s20;s17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29N3O2 |
All Atoms: | 54 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7878 |
Area: | 551.975 |
Solvation: | -3.01161 |
Coulombic: | -45.9862 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.463 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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