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Chemical ID: 6636759
Chemical ID:
6636759
Name [?]:
N-[1-(hydroxymethyl)-2,2-dimethyl-propyl]-2-methyl-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-propanamide
SMILES [?]:
CC(C)(C)C1COC(=N1)C(C)(C)C(=O)NC(CO)C(C)(C)C
InChi [?]:
InChI=1/C17H32N2O3/c1-15(2,3)11(9-20)18-13(21)17(7,8)14-19-12(10-22-14)16(4,5)6/h11-12,20H,9-10H2,1-8H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:20,21,22,1,3,4,11,12,17,6,16,5,13,8,19,2,10,15,9,18,14,7/E:(1,2,3)(4,5,6)(7,8)/rA:22cCCCCCCOCNCCCCONCCOCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s5d8;s8;s10;s10;s10;d13;s13;s15;s16;s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H32N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.1527 |
Area: | 520.061 |
Solvation: | -3.84883 |
Coulombic: | -52.7303 |
Bond Count [?]
All: | 22 |
Single: | 20 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 312.448 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.53 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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