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Chemical ID: 7042529
Chemical ID:
7042529
Name [?]:
N-(4-butylphenyl)-3,3-dimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)C23CCC(C2)C(C3=O)(C)C
InChi [?]:
InChI=1/C20H27NO2/c1-4-5-6-14-7-9-16(10-8-14)21-18(23)20-12-11-15(13-20)19(2,3)17(20)22/h7-10,15H,4-6,11-13H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,2,3,4,6,10,7,9,16,15,18,5,17,8,20,12,19,14,11,21,13/E:(2,3)(7,8)(9,10)/rA:23cCCCCCCCCCCNCOCCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s14s17;s17;s14s19;d20;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27NO2 |
All Atoms: | 50 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.6423 |
Area: | 534.509 |
Solvation: | -2.72042 |
Coulombic: | -29.9399 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.434 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.28 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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