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Chemical ID: 5434436
Chemical ID:
5434436
Name [?]:
N-[(4-methylpiperazin-1-yl)carbonylmethyl]adamantane-1-carboxamide
SMILES [?]:
CN1CCN(CC1)C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H29N3O2/c1-20-2-4-21(5-3-20)16(22)12-19-17(23)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,2-12H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,20,22,19,15,23,10,18,16,21,8,12,14,11,2,5,9,13/E:(2,3)(4,5)(6,7,8)(9,10,11)(13,14,15)/rA:23nCNCCNCCCOCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.95623 |
Area: | 507.384 |
Solvation: | -2.72838 |
Coulombic: | -42.5078 |
Bond Count [?]
All: | 26 |
Single: | 24 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.63 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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