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Chemical ID: 6711753
Chemical ID:
6711753
Name [?]:
N-(3,5-dimethoxyphenyl)-3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propanamide
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)CC[NH+]2CCCCC2
InChi [?]:
InChI=1/C16H24N2O3/c1-20-14-10-13(11-15(12-14)21-2)17-16(19)6-9-18-7-4-3-5-8-18/h10-12H,3-9H2,1-2H3,(H,17,19)/p+1
InChi Info:
AuxInfo=1/1/N:1,10,19,18,20,14,17,21,15,4,6,8,5,3,7,12,11,16,13,2,9/E:(1,2)(4,5)(7,8)(10,11)(14,15)(20,21)/rA:21nCOCCCCCCOCNCOCCN+CCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N2O3+ |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.1235 |
Area: | 506.082 |
Solvation: | -34.7756 |
Coulombic: | -2.23063 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 293.381 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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