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Chemical ID: 6386929
Chemical ID:
6386929
Name [?]:
N-(2,6-diethylphenyl)-4-methyl-benzamide
SMILES [?]:
CCc1cccc(c1NC(=O)c2ccc(cc2)C)CC
InChi [?]:
InChI=1/C18H21NO/c1-4-14-7-6-8-15(5-2)17(14)19-18(20)16-11-9-13(3)10-12-16/h6-12H,4-5H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,18,2,19,5,4,6,14,16,13,17,15,3,7,12,8,10,9,11/E:(1,2)(4,5)(7,8)(9,10)(11,12)(14,15)/rA:20nCCCCCCCCNCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s7;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1885 |
Area: | 478.112 |
Solvation: | -1.7643 |
Coulombic: | -24.1095 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 267.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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