Chemical ID: 5561075

CC1CN(CC(O1)C)CC(=O)Nc2ccc(cc2)C#N
Chemical ID:
5561075
Name [?]:
N-(4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)-acetamide
SMILES [?]:
CC1CN(CC(O1)C)CC(=O)Nc2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H19N3O2/c1-11-8-18(9-12(2)20-11)10-15(19)17-14-5-3-13(7-16)4-6-14/h3-6,11-12H,8-10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,15,17,14,18,19,3,5,9,2,6,16,13,10,20,12,4,11,7/E:(1,2)(3,4)(5,6)(8,9)(11,12)/rA:20cCCCNCCOCCCONCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:7.79761
Area:489.589
Solvation:-4.44211
Coulombic:-36.1683
Bond Count [?]
All:21
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.33
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.04
LogP (Chemaxon):1.54

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Descriptor Annotations

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