Chemical ID: 6699776

Cc1ccc(cc1)C(c2ccc(cc2)C)(C(=O)Nc3cccc[nH+]3)O
Chemical ID:
6699776
Name [?]:
2-hydroxy-2,2-bis(p-tolyl)-N-(1H-pyridin-2-yl)acetamide
SMILES [?]:
Cc1ccc(cc1)C(c2ccc(cc2)C)(C(=O)Nc3cccc[nH+]3)O
InChi [?]:
InChI=1/C21H20N2O2/c1-15-6-10-17(11-7-15)21(25,18-12-8-16(2)9-13-18)20(24)23-19-5-3-4-14-22-19/h3-14,25H,1-2H3,(H,22,23,24)/p+1
InChi Info:
AuxInfo=1/1/N:1,15,21,22,20,3,7,11,13,4,6,10,14,23,2,12,5,9,19,16,8,24,18,17,25/E:(1,2)(6,7,8,9)(10,11,12,13)(15,16)(17,18)/rA:25nCCCCCCCCCCCCCCCCONCCCCCN+O/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;s8;d16;s16;s18;s19;d20;s21;d22;d19s23;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N2O2+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-20.1548
Area:541.216
Solvation:-33.6852
Coulombic:-35.5768
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.404
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.13
LogP (Chemaxon):4.76

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Descriptor Annotations

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