Chemical ID: 4921675

CC(=O)NC(Cc1ccccc1)c2cc(cc(=O)o2)OC
Chemical ID:
4921675
Name [?]:
N-[1-(4-methoxy-6-oxo-pyran-2-yl)-2-phenyl-ethyl]acetamide
SMILES [?]:
CC(=O)NC(Cc1ccccc1)c2cc(cc(=O)o2)OC
InChi [?]:
InChI=1/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,10,9,11,8,12,6,14,16,2,7,15,5,13,17,4,3,18,20,19/E:(4,5)(6,7)/rA:21cCCONCCCCCCCCCCCCCOOOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s14;d15;s16;d17;s13s17;s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:6.76742
Area:473.729
Solvation:-5.07581
Coulombic:-43.9373
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.311
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.04
LogP (Chemaxon):1.27

Name Annotations

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Descriptor Annotations

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