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Chemical ID: 4084718
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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