Chemical ID: 4456860

CC(C)c1ccccc1NC(=O)COc2ccc(cc2)C=O
Chemical ID:
4456860
Name [?]:
2-(4-formylphenoxy)-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccccc1NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C18H19NO3/c1-13(2)16-5-3-4-6-17(16)19-18(21)12-22-15-9-7-14(11-20)8-10-15/h3-11,13H,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,8,17,19,16,20,21,13,2,18,15,4,9,11,10,22,12,14/E:(1,2)(7,8)(9,10)/rA:22nCCCCCCCCCNCOCOCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.54734
Area:524.308
Solvation:-5.56037
Coulombic:-35.7414
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.56
LogP (Chemaxon):3.1

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Descriptor Annotations

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