Chemical ID: 6342837

CCCCC(CC)CNC(=O)c1ccc(cc1)C
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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