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Chemical ID: 4511430
Chemical ID:
4511430
Name [?]:
N-(2-hydroxy-1,1-dimethyl-ethyl)-4-isobutoxy-benzamide
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)NC(C)(C)CO
InChi [?]:
InChI=1/C15H23NO3/c1-11(2)9-19-13-7-5-12(6-8-13)14(18)16-15(3,4)10-17/h5-8,11,17H,9-10H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,8,10,7,11,4,18,2,9,6,12,15,14,19,13,5/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCCCOCCCCCCCONCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s15;s15;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35028 |
Area: | 483.675 |
Solvation: | -3.74161 |
Coulombic: | -47.1597 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 265.348 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.59 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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