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Chemical ID: 6392395
Chemical ID:
6392395
Name [?]:
N-(3-dimethylaminopropyl)-3-methoxy-benzamide
SMILES [?]:
CN(C)CCCNC(=O)c1cccc(c1)OC
InChi [?]:
InChI=1/C13H20N2O2/c1-15(2)9-5-8-14-13(16)11-6-4-7-12(10-11)17-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,17,12,5,11,13,6,4,15,10,14,8,7,2,9,16/E:(1,2)/rA:17nCNCCCCNCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00626 |
Area: | 459.518 |
Solvation: | -3.4817 |
Coulombic: | -34.0719 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 236.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.55 |
LogP (Chemaxon): | 0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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