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Chemical ID: 4409431
Chemical ID:
4409431
Name [?]:
4-butoxy-N-(2-ethylphenyl)-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2ccccc2CC
InChi [?]:
InChI=1/C19H23NO2/c1-3-5-14-22-17-12-10-16(11-13-17)19(21)20-18-9-7-6-8-15(18)4-2/h6-13H,3-5,14H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,3,18,17,19,16,8,10,7,11,4,20,9,6,15,12,14,13,5/E:(10,11)(12,13)/rA:22nCCCCOCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5571 |
Area: | 535.874 |
Solvation: | -2.83973 |
Coulombic: | -31.4457 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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