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Chemical ID: 6342837
Chemical ID:
6342837
Name [?]:
N-(2-ethylhexyl)-4-methyl-benzamide
SMILES [?]:
CCCCC(CC)CNC(=O)c1ccc(cc1)C
InChi [?]:
InChI=1/C16H25NO/c1-4-6-7-14(5-2)12-17-16(18)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,7,18,2,6,3,4,14,16,13,17,8,15,5,12,10,9,11/E:(8,9)(10,11)/rA:18cCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;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: | 1 |
ZAP Information [?]
Total: | 10.9496 |
Area: | 495.073 |
Solvation: | -1.42725 |
Coulombic: | -25.2162 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 247.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.22 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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