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Chemical ID: 3939568
Chemical ID:
3939568
Name [?]:
N-(3-acetylphenyl)-4-(1-adamantylcarbonylamino)piperidine-1-carboxamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)N2CCC(CC2)NC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C25H33N3O3/c1-16(29)20-3-2-4-22(12-20)27-24(31)28-7-5-21(6-8-28)26-23(30)25-13-17-9-18(14-25)11-19(10-17)15-25/h2-4,12,17-19,21H,5-11,13-15H2,1H3,(H,26,30)(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,15,17,14,18,25,28,30,9,27,23,31,2,26,24,29,4,16,8,20,11,22,19,10,13,3,21,12/E:(5,6)(7,8)(9,10,11)(13,14,15)(17,18,19)/rA:31nCCOCCCCCCNCONCCCCCNCOCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s20;s22;s23;s24;s25;s22s26;s26;s28;s24s29;s22s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H33N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3233 |
Area: | 645.09 |
Solvation: | -3.80392 |
Coulombic: | -59.0794 |
Bond Count [?]
All: | 35 |
Single: | 29 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 423.548 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.9 |
LogP (Chemaxon): | 2.46 |
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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