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Chemical ID: 6948635
Chemical ID:
6948635
Name [?]:
4-ethoxy-N-(2-sec-butylphenyl)-benzamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2ccc(cc2)OCC
InChi [?]:
InChI=1/C19H23NO2/c1-4-14(3)17-8-6-7-9-18(17)20-19(21)15-10-12-16(13-11-15)22-5-2/h6-14H,4-5H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,2,21,7,8,6,9,15,19,16,18,3,14,17,5,10,12,11,13,20/E:(10,11)(12,13)/rA:22cCCCCCCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3138 |
Area: | 529.006 |
Solvation: | -2.91134 |
Coulombic: | -31.2318 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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