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Chemical ID: 5757414
Chemical ID:
5757414
Name [?]:
N-(2,6-diisopropylphenyl)-2-hydroxy-2-phenyl-acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)C(c2ccccc2)O)C(C)C
InChi [?]:
InChI=1/C20H25NO2/c1-13(2)16-11-8-12-17(14(3)4)18(16)21-20(23)19(22)15-9-6-5-7-10-15/h5-14,19,22H,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,17,16,18,6,15,19,5,7,2,21,14,4,8,9,13,11,10,20,12/E:(1,2,3,4)(6,7)(9,10)(11,12)(13,14)(16,17)/rA:23cCCCCCCCCCNCOCCCCCCCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;s8;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.76803 |
Area: | 510.815 |
Solvation: | -3.00235 |
Coulombic: | -41.7459 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.418 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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