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Chemical ID: 4473540
Chemical ID:
4473540
Name [?]:
N-(4-butylphenyl)-3,5-dimethyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2cc(cc(c2)C)C
InChi [?]:
InChI=1/C19H23NO/c1-4-5-6-16-7-9-18(10-8-16)20-19(21)17-12-14(2)11-15(3)13-17/h7-13H,4-6H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,2,3,4,6,10,7,9,17,19,15,18,16,5,14,8,12,11,13/E:(2,3)(7,8)(9,10)(12,13)(14,15)/rA:21nCCCCCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3961 |
Area: | 523.196 |
Solvation: | -1.68379 |
Coulombic: | -24.3268 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.91 |
LogP (Chemaxon): | 5.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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