Chemical ID: 4931537

c1ccc(cc1)CC(=O)NCCc2ccc(c(c2)O)O
Chemical ID:
4931537
Name [?]:
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)NCCc2ccc(c(c2)O)O
InChi [?]:
InChI=1/C16H17NO3/c18-14-7-6-13(10-15(14)19)8-9-17-16(20)11-12-4-2-1-3-5-12/h1-7,10,18-19H,8-9,11H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,15,12,11,18,7,4,13,16,17,8,10,20,19,9/E:(2,3)(4,5)/rA:20nCCCCCCCCONCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.72085
Area:492.239
Solvation:-4.58511
Coulombic:-53.7328
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.311
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):2.52

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