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Chemical ID: 6355212
Chemical ID:
6355212
Name [?]:
4-methyl-N-octyl-benzamide
SMILES [?]:
CCCCCCCCNC(=O)c1ccc(cc1)C
InChi [?]:
InChI=1/C16H25NO/c1-3-4-5-6-7-8-13-17-16(18)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,2,3,4,5,6,7,14,16,13,17,8,15,12,10,9,11/E:(9,10)(11,12)/rA:18nCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3089 |
Area: | 510.61 |
Solvation: | -1.45635 |
Coulombic: | -25.1594 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.49 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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