Chemical ID: 3954479

c1cc(ccc1C#N)NC(=O)CNCC2CCCCC2
Chemical ID:
3954479
Name [?]:
N-(4-cyanophenyl)-2-(cyclohexylmethylamino)acetamide
SMILES [?]:
c1cc(ccc1C#N)NC(=O)CNCC2CCCCC2
InChi [?]:
InChI=1/C16H21N3O/c17-10-13-6-8-15(9-7-13)19-16(20)12-18-11-14-4-2-1-3-5-14/h6-9,14,18H,1-5,11-12H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,1,5,2,4,7,14,12,6,15,3,10,8,13,9,11/E:(2,3)(4,5)(6,7)(8,9)/rA:20nCCCCCCCNNCOCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.71616
Area:504.852
Solvation:-2.90515
Coulombic:-33.2195
Bond Count [?]
All:21
Single:16
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.358
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.73
LogP (Chemaxon):2.59

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