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Chemical ID: 7326022
Chemical ID:
7326022
Name [?]:
N-(2,5-dimethoxyphenyl)-2-(3-methyl-1-piperidyl)-acetamide
SMILES [?]:
CC1CCCN(C1)CC(=O)Nc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C16H24N2O3/c1-12-5-4-8-18(10-12)11-16(19)17-14-9-13(20-2)6-7-15(14)21-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,21,19,4,3,15,16,5,13,7,8,2,14,12,17,9,11,6,10,20,18/rA:21cCCCCCNCCCONCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s14;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O3 |
All Atoms: | 45 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.3746 |
Area: | 498.362 |
Solvation: | -5.08446 |
Coulombic: | -39.3433 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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