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Chemical ID: 4170026
Chemical ID:
4170026
Name [?]:
N-(2-diethylaminoethyl)-2,2-diphenoxy-acetamide
SMILES [?]:
CCN(CC)CCNC(=O)C(Oc1ccccc1)Oc2ccccc2
InChi [?]:
InChI=1/C20H26N2O3/c1-3-22(4-2)16-15-21-19(23)20(24-17-11-7-5-8-12-17)25-18-13-9-6-10-14-18/h5-14,20H,3-4,15-16H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,23,15,17,22,24,14,18,21,25,7,6,13,20,9,11,8,3,10,12,19/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(17,18)(24,25)/rA:25nCCNCCCCNCOCOCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.084 |
Area: | 573.684 |
Solvation: | -3.25811 |
Coulombic: | -48.4624 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 342.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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