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Chemical ID: 7192770
Chemical ID:
7192770
Name [?]:
N-benzyl-1-[(2-ethoxyphenyl)methyl]-N-methyl-3,4,5,6-tetrahydro-2H-pyridine-3-carboxamide
SMILES [?]:
CCOc1ccccc1C[NH+]2CCCC(C2)C(=O)N(C)Cc3ccccc3
InChi [?]:
InChI=1/C23H30N2O2/c1-3-27-22-14-8-7-12-20(22)17-25-15-9-13-21(18-25)23(26)24(2)16-19-10-5-4-6-11-19/h4-8,10-12,14,21H,3,9,13,15-18H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,2,25,24,26,7,6,13,23,27,8,14,5,12,21,10,16,22,9,15,4,17,19,11,18,3/E:(5,6)(10,11)/rA:27cCCOCCCCCCCN+CCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s15;d17;s17;s19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N2O2+ |
All Atoms: | 58 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -14.1352 |
Area: | 607.165 |
Solvation: | -29.3144 |
Coulombic: | 1.14121 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.505 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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