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Chemical ID: 4248615
Chemical ID:
4248615
Name [?]:
N-(4-ethylphenyl)-3,3-dimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)C23CCC(C2)C(C3=O)(C)C
InChi [?]:
InChI=1/C18H23NO2/c1-4-12-5-7-14(8-6-12)19-16(21)18-10-9-13(11-18)17(2,3)15(18)20/h5-8,13H,4,9-11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,2,4,8,5,7,14,13,16,3,15,6,18,10,17,12,9,19,11/E:(2,3)(5,6)(7,8)/rA:21cCCCCCCCCNCOCCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s12s15;s15;s12s17;d18;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.30159 |
Area: | 479.928 |
Solvation: | -2.69661 |
Coulombic: | -29.2927 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.14 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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