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Chemical ID: 3954479
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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