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Chemical ID: 7284433
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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