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Chemical ID: 4911869
Chemical ID:
4911869
Name [?]:
2-diethylamino-N-[3-(2-diethylaminoethoxy)phenyl]-acetamide
SMILES [?]:
CCN(CC)CCOc1cccc(c1)NC(=O)CN(CC)CC
InChi [?]:
InChI=1/C18H31N3O2/c1-5-20(6-2)12-13-23-17-11-9-10-16(14-17)19-18(22)15-21(7-3)8-4/h9-11,14H,5-8,12-13,15H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,5,21,23,2,4,20,22,11,12,10,6,7,14,18,13,9,16,15,3,19,17,8/E:(1,2)(3,4)(5,6)(7,8)/rA:23nCCNCCCCOCCCCCCNCOCNCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s16;s18;s19;s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87141 |
Area: | 584.427 |
Solvation: | -4.73927 |
Coulombic: | -36.9524 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 321.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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