Chemical ID: 7516618

c1ccc(cc1)CNC(=O)CN2CCCCCC2
Chemical ID:
7516618
Name [?]:
2-azepan-1-yl-N-benzyl-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)CN2CCCCCC2
InChi [?]:
InChI=1/C15H22N2O/c18-15(13-17-10-6-1-2-7-11-17)16-12-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:15,16,1,2,6,14,17,3,5,13,18,7,11,4,9,8,12,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCCCCNCOCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O
All Atoms:40
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:8.88763
Area:452.692
Solvation:-2.42967
Coulombic:-27.6822
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.17
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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