Chemical ID: 3991195

CCc1cccc(c1NC(=O)CC#N)CC
Chemical ID:
3991195
Name [?]:
N-(2,6-diethylphenyl)-3-nitrido-propanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CC#N)CC
InChi [?]:
InChI=1/C13H16N2O/c1-3-10-6-5-7-11(4-2)13(10)15-12(16)8-9-14/h5-7H,3-4,8H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,5,4,6,12,13,3,7,10,8,14,9,11/E:(1,2)(3,4)(6,7)(10,11)/rA:16nCCCCCCCCNCOCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;t13;s7;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.15235
Area:417.049
Solvation:-3.27387
Coulombic:-21.8227
Bond Count [?]
All:16
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:216.279
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):2.0

Name Annotations

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Descriptor Annotations

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