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Chemical ID: 5902646
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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