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Chemical ID: 3951005
Chemical ID:
3951005
Name [?]:
N-cyclopentyl-N-(2-pyridylmethyl)adamantane-1-carboxamide
SMILES [?]:
c1ccnc(c1)CN(C2CCCC2)C(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C22H30N2O/c25-21(22-12-16-9-17(13-22)11-18(10-16)14-22)24(20-6-1-2-7-20)15-19-5-3-4-8-23-19/h3-5,8,16-18,20H,1-2,6-7,9-15H2
InChi Info:
AuxInfo=1/0/N:11,12,1,2,6,10,13,3,19,22,24,21,17,25,7,20,18,23,5,9,14,16,4,8,15/E:(1,2)(6,7)(9,10,11)(12,13,14)(16,17,18)/rA:25nCCCNCCCNCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s9s12;s8;d14;s14;s16;s17;s18;s19;s16s20;s20;s22;s18s23;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N2O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5918 |
Area: | 498.442 |
Solvation: | -1.86928 |
Coulombic: | -23.509 |
Bond Count [?]
All: | 29 |
Single: | 25 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.62 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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