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Chemical ID: 5202207
Chemical ID:
5202207
Name [?]:
N-(2-dimethylaminoethyl)-2-hydroxy-N,2,2-triphenyl-acetamide
SMILES [?]:
CN(C)CCN(c1ccccc1)C(=O)C(c2ccccc2)(c3ccccc3)O
InChi [?]:
InChI=1/C24H26N2O2/c1-25(2)18-19-26(22-16-10-5-11-17-22)23(27)24(28,20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,28H,18-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,19,25,10,18,20,24,26,9,11,17,21,23,27,8,12,4,5,16,22,7,13,15,2,6,14,28/E:(1,2)(3,4)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(20,21)/rA:28nCNCCCNCCCCCCCOCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s6;d13;s13;s15;s16;d17;s18;d19;d16s20;s15;s22;d23;s24;d25;d22s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6487 |
Area: | 579.784 |
Solvation: | -2.84593 |
Coulombic: | -45.7843 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.476 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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