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Chemical ID: 6432480
Chemical ID:
6432480
Name [?]:
N-(4-ethoxyphenyl)-3,3-dimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C23CCC(C2)C(C3=O)(C)C
InChi [?]:
InChI=1/C18H23NO3/c1-4-22-14-7-5-13(6-8-14)19-16(21)18-10-9-12(11-18)17(2,3)15(18)20/h5-8,12H,4,9-11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,2,6,8,5,9,15,14,17,16,7,4,19,11,18,13,10,20,12,3/E:(2,3)(5,6)(7,8)/rA:22cCCOCCCCCCNCOCCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s13s16;s16;s13s18;d19;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.611 |
Area: | 498.371 |
Solvation: | -3.84828 |
Coulombic: | -35.6928 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 301.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.58 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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