Chemical ID: 5863545

COc1ccc(cc1OC)C(=O)NCCNCc2ccccc2
Chemical ID:
5863545
Name [?]:
N-(2-benzylaminoethyl)-3,4-dimethoxy-benzamide
SMILES [?]:
COc1ccc(cc1OC)C(=O)NCCNCc2ccccc2
InChi [?]:
InChI=1/C18H22N2O3/c1-22-16-9-8-15(12-17(16)23-2)18(21)20-11-10-19-13-14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,21,20,22,19,23,5,4,15,14,7,17,18,6,3,8,11,16,13,12,2,9/E:(4,5)(6,7)/rA:23nCOCCCCCCOCCONCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.2511
Area:561.318
Solvation:-5.78185
Coulombic:-45.5856
Bond Count [?]
All:24
Single:17
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:314.379
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.31
LogP (Chemaxon):1.83

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Descriptor Annotations

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