Chemical ID: 7315388

CC(C(=O)NC(=O)NC)Oc1ccccc1C#N
Chemical ID:
7315388
Name [?]:
2-(2-cyanophenoxy)-N-(methylcarbamoyl)propanamide
SMILES [?]:
CC(C(=O)NC(=O)NC)Oc1ccccc1C#N
InChi [?]:
InChI=1/C12H13N3O3/c1-8(11(16)15-12(17)14-2)18-10-6-4-3-5-9(10)7-13/h3-6,8H,1-2H3,(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,9,14,13,15,12,17,2,16,11,3,6,18,8,5,4,7,10/rA:18cCCCONCONCOCCCCCCCN/rB:s1;s2;d3;s3;s5;d6;s6;s8;s2;s10;s11;d12;s13;d14;d11s15;s16;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O3
All Atoms:31
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:4.95546
Area:446.565
Solvation:-6.20866
Coulombic:-51.7388
Bond Count [?]
All:18
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.25
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.45
LogP (Chemaxon):0.8

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