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Chemical ID: 3996627
Chemical ID:
3996627
Name [?]:
N-(3,4-diethoxyphenyl)-2-methylamino-acetamide
SMILES [?]:
CCOc1ccc(cc1OCC)NC(=O)CNC
InChi [?]:
InChI=1/C13H20N2O3/c1-4-17-11-7-6-10(8-12(11)18-5-2)15-13(16)9-14-3/h6-8,14H,4-5,9H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,18,2,11,6,5,8,16,7,4,9,14,17,13,15,3,10/rA:18nCCOCCCCCCOCCNCOCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.04935 |
Area: | 471.446 |
Solvation: | -5.73681 |
Coulombic: | -42.1411 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 252.31 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.97 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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