Chemical ID: 5340851

c1ccc(cc1)NC(=O)CC23CC4CC(C2)CC(C4)C3
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

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Experimental Annotations

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Descriptor Annotations

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