Chemical ID: 7321469

COc1cc(ccc1OCC(=O)NCC2CCCCC2)C#N
Chemical ID:
7321469
Name [?]:
2-(4-cyano-2-methoxy-phenoxy)-N-(cyclohexylmethyl)acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)NCC2CCCCC2)C#N
InChi [?]:
InChI=1/C17H22N2O3/c1-21-16-9-14(10-18)7-8-15(16)22-12-17(20)19-11-13-5-3-2-4-6-13/h7-9,13H,2-6,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,6,7,4,21,14,10,15,5,8,3,11,22,13,12,2,9/E:(3,4)(5,6)/rA:22nCOCCCCCCOCCONCCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;s5;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O3
All Atoms:44
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.00417
Area:539.97
Solvation:-6.49508
Coulombic:-38.0565
Bond Count [?]
All:23
Single:18
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:302.368
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):2.18

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Descriptor Annotations

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