Chemical ID: 5976720

CN(C)c1ccc(cc1C(=O)N2CCCCC2)NC(=O)NC34CC5CC(C3)CC(C5)C4
Chemical ID:
5976720
Name [?]:
3-(1-adamantyl)-1-[4-dimethylamino-3-(1-piperidylcarbonyl)phenyl]-urea
SMILES [?]:
CN(C)c1ccc(cc1C(=O)N2CCCCC2)NC(=O)NC34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C25H36N4O2/c1-28(2)22-7-6-20(13-21(22)23(30)29-8-4-3-5-9-29)26-24(31)27-25-14-17-10-18(15-25)12-19(11-17)16-25/h6-7,13,17-19H,3-5,8-12,14-16H2,1-2H3,(H2,26,27,31)
InChi Info:
AuxInfo=1/1/N:1,3,15,14,16,6,5,13,17,25,28,30,8,27,23,31,26,24,29,7,9,4,10,19,22,18,21,2,12,11,20/E:(1,2)(4,5)(8,9)(10,11,12)(14,15,16)(17,18,19)/rA:31nCNCCCCCCCCONCCCCCNCONCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s7;s18;d19;s19;s21;s22;s23;s24;s25;s22s26;s26;s28;s24s29;s22s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H36N4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.9851
Area:623.46
Solvation:-3.60141
Coulombic:-57.7928
Bond Count [?]
All:35
Single:30
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.579
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.41
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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