Chemical ID: 7247650

c1ccc2c(c1)ccc(n2)C(=O)NCC3CCCCC3
Chemical ID:
7247650
Name [?]:
N-(cyclohexylmethyl)quinoline-2-carboxamide
SMILES [?]:
c1ccc2c(c1)ccc(n2)C(=O)NCC3CCCCC3
InChi [?]:
InChI=1/C17H20N2O/c20-17(18-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)19-16/h4-5,8-11,13H,1-3,6-7,12H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:18,17,19,1,2,16,20,6,3,7,8,14,15,5,4,9,11,13,10,12/E:(2,3)(6,7)/rA:20nCCCCCCCCCNCONCCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O
All Atoms:40
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.428
Area:476.221
Solvation:-1.47757
Coulombic:-31.2419
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.354
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.06
LogP (Chemaxon):3.33

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Descriptor Annotations

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