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Chemical ID: 6934760
Chemical ID:
6934760
Name [?]:
N-(4-methoxyphenyl)-2,2-dimethyl-butanamide
SMILES [?]:
CCC(C)(C)C(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C13H19NO2/c1-5-13(2,3)12(15)14-10-6-8-11(16-4)9-7-10/h6-9H,5H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,5,16,2,10,14,11,13,9,12,6,3,8,7,15/E:(2,3)(6,7)(8,9)/rA:16nCCCCCCONCCCCCCOC/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44121 |
Area: | 413.082 |
Solvation: | -2.88585 |
Coulombic: | -28.5541 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.51 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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