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Chemical ID: 6941069
Chemical ID:
6941069
Name [?]:
N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILES [?]:
CCC(=O)NC(C)c1cc(ccc1OC)OC
InChi [?]:
InChI=1/C13H19NO3/c1-5-13(15)14-9(2)11-8-10(16-3)6-7-12(11)17-4/h6-9H,5H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,7,17,15,2,11,12,9,6,10,8,13,3,5,4,16,14/rA:17cCCCONCCCCCCCCOCOC/rB:s1;s2;d3;s3;s5;s6;s6;s8;d9;s10;d11;d8s12;s13;s14;s10;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.53914 |
Area: | 438.415 |
Solvation: | -4.42122 |
Coulombic: | -34.5151 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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