Chemical ID: 6591258

CC(CCc1ccccc1)NC(=O)COc2ccc(cc2)C#N
Chemical ID:
6591258
Name [?]:
2-(4-cyanophenoxy)-N-(1-methyl-3-phenyl-propyl)-acetamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)COc2ccc(cc2)C#N
InChi [?]:
InChI=1/C19H20N2O2/c1-15(7-8-16-5-3-2-4-6-16)21-19(22)14-23-18-11-9-17(13-20)10-12-18/h2-6,9-12,15H,7-8,14H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,10,3,4,18,20,17,21,22,14,2,5,19,16,12,23,11,13,15/E:(3,4)(5,6)(9,10)(11,12)/rA:23cCCCCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.6038
Area:565.823
Solvation:-4.54179
Coulombic:-33.4285
Bond Count [?]
All:24
Single:16
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:308.374
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.52
LogP (Chemaxon):3.37

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Descriptor Annotations

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