Chemical ID: 6990209

CC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2C#N
Chemical ID:
6990209
Name [?]:
N-(2-cyanophenyl)-2-(4-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)OCC(=O)Nc2ccccc2C#N
InChi [?]:
InChI=1/C18H18N2O2/c1-13(2)14-7-9-16(10-8-14)22-12-18(21)20-17-6-4-3-5-15(17)11-19/h3-10,13H,12H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,18,17,19,16,5,9,6,8,21,11,2,4,20,7,15,12,22,14,13,10/E:(1,2)(7,8)(9,10)/rA:22nCCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.22252
Area:526.447
Solvation:-3.93866
Coulombic:-33.268
Bond Count [?]
All:23
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.348
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.23
LogP (Chemaxon):3.88

Name Annotations

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Descriptor Annotations

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