Chemical ID: 7284433

Cc1ccc(cc1)C(=O)NCC(=O)N2CCCCCC2
Chemical ID:
7284433
Name [?]:
N-(azepan-1-ylcarbonylmethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCC(=O)N2CCCCCC2
InChi [?]:
InChI=1/C16H22N2O2/c1-13-6-8-14(9-7-13)16(20)17-12-15(19)18-10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,3,7,4,6,15,20,11,2,5,12,8,10,14,13,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:20nCCCCCCCCONCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s18;s14s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O2
All Atoms:42
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.72733
Area:481.207
Solvation:-2.30284
Coulombic:-39.662
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.358
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.4
LogP (Chemaxon):1.7

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Descriptor Annotations

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