Chemical ID: 4084718

c1ccc(cc1)CNC(=O)C(=O)N2CCCCCC2
Chemical ID:
4084718
Name [?]:
2-azepan-1-yl-N-benzyl-2-oxo-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C(=O)N2CCCCCC2
InChi [?]:
InChI=1/C15H20N2O2/c18-14(16-12-13-8-4-3-5-9-13)15(19)17-10-6-1-2-7-11-17/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:16,17,1,2,6,15,18,3,5,14,19,7,4,9,11,8,13,10,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:19nCCCCCCCNCOCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.78155
Area:452.914
Solvation:-1.5413
Coulombic:-44.832
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.332
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):1.66

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