Chemical ID: 5902646

CCNC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4
Chemical ID:
5902646
Name [?]:
4-[4-(1-adamantylcarbonylamino)phenyl]-N-ethyl-piperazine-1-carboxamide
SMILES [?]:
CCNC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C24H34N4O2/c1-2-25-23(30)28-9-7-27(8-10-28)21-5-3-20(4-6-21)26-22(29)24-14-17-11-18(15-24)13-19(12-17)16-24/h3-6,17-19H,2,7-16H2,1H3,(H,25,30)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,14,16,13,17,8,10,7,11,24,27,29,26,22,30,25,23,28,15,12,19,4,21,3,18,9,6,20,5/E:(3,4)(5,6)(7,8)(9,10)(11,12,13)(14,15,16)(17,18,19)/rA:30nCCNCONCCNCCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;s22;s23;s24;s21s25;s25;s27;s23s28;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1724
Area:625.251
Solvation:-3.45885
Coulombic:-57.5683
Bond Count [?]
All:34
Single:29
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.553
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.94
LogP (Chemaxon):3.58

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Experimental Annotations

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Descriptor Annotations

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