Chemical ID: 4508951

COc1ccc(cc1)CC(=O)Nc2ccc3c(c2)OCO3
Chemical ID:
4508951
Name [?]:
N-benzo[1,3]dioxol-5-yl-2-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)CC(=O)Nc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C16H15NO4/c1-19-13-5-2-11(3-6-13)8-16(18)17-12-4-7-14-15(9-12)21-10-20-14/h2-7,9H,8,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,7,14,4,8,15,9,18,20,6,13,3,16,17,10,12,11,2,21,19/E:(2,3)(5,6)/rA:21nCOCCCCCCCCONCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.56904
Area:476.854
Solvation:-5.35231
Coulombic:-42.887
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.295
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.48
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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