Chemical ID: 6533266

CCOc1ccc(cc1)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C
Chemical ID:
6533266
Name [?]:
N-(4-ethoxyphenyl)-3,5-dimethyl-adamantane-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C23CC4CC(C2)(CC(C4)(C3)C)C
InChi [?]:
InChI=1/C21H29NO2/c1-4-24-17-7-5-16(6-8-17)22-18(23)21-11-15-9-19(2,13-21)12-20(3,10-15)14-21/h5-8,15H,4,9-14H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,6,8,5,9,21,16,14,19,22,18,15,7,4,11,20,17,13,10,12,3/E:(2,3)(5,6)(7,8)(9,10)(13,14)(19,20)/rA:24cCCOCCCCCCNCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.3065
Area:521.532
Solvation:-2.73184
Coulombic:-29.6703
Bond Count [?]
All:27
Single:23
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.461
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.78
LogP (Chemaxon):4.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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