Chemical ID: 7192770

CCOc1ccccc1C[NH+]2CCCC(C2)C(=O)N(C)Cc3ccccc3
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

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Descriptor Annotations

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