Chemical ID: 6731833

Cc1cccc(c1)NC(=O)N(C2CCCC2)C3CCN(CC3)C(=O)C
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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Descriptor Annotations

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