Chemical ID: 3850683

CCC(=O)Nc1cc(c(cc1OCC)NC(=O)COc2ccccc2)OCC
Chemical ID:
3850683
Name [?]:
N-[2,5-diethoxy-4-(2-phenoxyacetyl)amino-phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1cc(c(cc1OCC)NC(=O)COc2ccccc2)OCC
InChi [?]:
InChI=1/C21H26N2O5/c1-4-20(24)22-16-12-19(27-6-3)17(13-18(16)26-5-2)23-21(25)14-28-15-10-8-7-9-11-15/h7-13H,4-6,14H2,1-3H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,14,28,2,13,27,23,22,24,21,25,7,10,18,20,6,9,11,8,3,16,5,15,4,17,12,26,19/E:(8,9)(10,11)/rA:28nCCCONCCCCCCOCCNCOCOCCCCCCOCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s9;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s8;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.98143
Area:634.666
Solvation:-5.88522
Coulombic:-63.6613
Bond Count [?]
All:29
Single:21
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:386.442
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.43
LogP (Chemaxon):3.01

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