Chemical ID: 7101947

CCCCCNCc1cc(c(c(c1)Br)OCC(=O)N)OCC
Chemical ID:
7101947
Name [?]:
2-[2-bromo-6-ethoxy-4-(pentylaminomethyl)phenoxy]acetamide
SMILES [?]:
CCCCCNCc1cc(c(c(c1)Br)OCC(=O)N)OCC
InChi [?]:
InChI=1/C16H25BrN2O3/c1-3-5-6-7-19-10-12-8-13(17)16(22-11-15(18)20)14(9-12)21-4-2/h8-9,19H,3-7,10-11H2,1-2H3,(H2,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,3,4,5,13,9,7,16,8,12,10,17,11,14,19,6,18,20,15/rA:22nCCCCCNCCCCCCCBrOCCONOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;s15;s16;d17;s17;s10;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25BrN2O3
All Atoms:47
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.03418
Area:581.312
Solvation:-5.49861
Coulombic:-49.49
Bond Count [?]
All:22
Single:18
Double:4
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:373.285
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.89
LogP (Chemaxon):2.48

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