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Chemical ID: 3939578
Chemical ID:
3939578
Name [?]:
4-(1-adamantylcarbonylamino)-N,N-diethyl-piperidine-1-carboxamide
SMILES [?]:
CCN(CC)C(=O)N1CCC(CC1)NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C21H35N3O2/c1-3-23(4-2)20(26)24-7-5-18(6-8-24)22-19(25)21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,3-14H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,12,9,13,20,23,25,22,18,26,21,19,24,11,15,6,17,14,3,8,16,7/E:(1,2)(3,4)(5,6)(7,8)(9,10,11)(12,13,14)(15,16,17)/rA:26nCCNCCCONCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;d15;s15;s17;s18;s19;s20;s17s21;s21;s23;s19s24;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H35N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3697 |
Area: | 558.674 |
Solvation: | -2.59715 |
Coulombic: | -47.5405 |
Bond Count [?]
All: | 29 |
Single: | 27 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.522 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.48 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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