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Chemical ID: 7053714
Chemical ID:
7053714
Name [?]:
N-(3,5-dimethylphenyl)-3-hydroxyimino-4,7,7-trimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)C23CCC(C2(C)C)(C(=NO)C3=O)C)C
InChi [?]:
InChI=1/C19H24N2O3/c1-11-8-12(2)10-13(9-11)20-16(23)19-7-6-18(5,17(19,3)4)14(21-24)15(19)22/h8-10,24H,6-7H2,1-5H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,16,17,23,13,12,3,7,5,2,4,6,18,21,9,15,14,11,8,19,22,10,20/E:(1,2)(3,4)(9,10)(11,12)/rA:24cCCCCCCCNCOCCCCCCCCNOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s11s14;s15;s15;s14;w18;s19;s11s18;d21;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.64074 |
Area: | 517.255 |
Solvation: | -3.29064 |
Coulombic: | -41.8438 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 328.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.18 |
LogP (Chemaxon): | 5.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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