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Chemical ID: 5340851
Chemical ID:
5340851
Name [?]:
2-(1-adamantyl)-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)NC(=O)CC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H23NO/c20-17(19-16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,17,19,16,12,20,10,15,13,18,4,8,11,7,9/E:(2,3)(4,5)(6,7,8)(9,10,11)(13,14,15)/rA:20nCCCCCCNCOCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20151 |
Area: | 435.805 |
Solvation: | -1.69361 |
Coulombic: | -21.9896 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 269.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.42 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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