Chemical ID: 6987655

CC(C)c1ccccc1OCC(=O)NN=Cc2ccccc2O
Chemical ID:
6987655
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NN=Cc2ccccc2O
InChi [?]:
InChI=1/C18H20N2O3/c1-13(2)15-8-4-6-10-17(15)23-12-18(22)20-19-11-14-7-3-5-9-16(14)21/h3-11,13,21H,12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,19,6,20,7,18,5,21,8,16,11,2,17,4,22,9,12,15,14,23,13,10/E:(1,2)/rA:23nCCCCCCCCCOCCONNCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O3
All Atoms:43
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.7238
Area:543.188
Solvation:-6.8559
Coulombic:-41.8598
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:312.363
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.46
LogP (Chemaxon):3.93

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Descriptor Annotations

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