Chemical ID: 4265927

CCOc1ccc(cc1)NC(=O)CC23CC4CC(C2)CC(C4)C3
Chemical ID:
4265927
Name [?]:
2-(1-adamantyl)-N-(4-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C20H27NO2/c1-2-23-18-5-3-17(4-6-18)21-19(22)13-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,2,7-13H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,17,20,22,19,15,23,13,18,16,21,7,4,11,14,10,12,3/E:(3,4)(5,6)(7,8,9)(10,11,12)(14,15,16)/rA:23nCCOCCCCCCNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s18;s20;s16s21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.67141
Area:500.933
Solvation:-2.85193
Coulombic:-28.4723
Bond Count [?]
All:26
Single:22
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.434
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.76
LogP (Chemaxon):3.92

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Experimental Annotations

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Descriptor Annotations

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