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Chemical ID: 4296562
Chemical ID:
4296562
Name [?]:
2-hydroxy-N-(4-methoxyphenyl)-2,2-diphenyl-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)C(c2ccccc2)(c3ccccc3)O
InChi [?]:
InChI=1/C21H19NO3/c1-25-19-14-12-18(13-15-19)22-20(23)21(24,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,24H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,16,22,15,17,21,23,14,18,20,24,5,7,4,8,13,19,6,3,10,12,9,11,25,2/E:(2,3)(4,5,6,7)(8,9,10,11)(12,13)(14,15)(16,17)/rA:25nCOCCCCCCNCOCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s12;s19;d20;s21;d22;d19s23;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96619 |
Area: | 538.983 |
Solvation: | -3.50837 |
Coulombic: | -51.3224 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.7 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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