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Chemical ID: 5822714
Chemical ID:
5822714
Name [?]:
4-butoxy-N-(p-tolyl)benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C
InChi [?]:
InChI=1/C18H21NO2/c1-3-4-13-21-17-11-7-15(8-12-17)18(20)19-16-9-5-14(2)6-10-16/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,17,19,8,10,16,20,7,11,4,18,9,15,6,12,14,13,5/E:(5,6)(7,8)(9,10)(11,12)/rA:21nCCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.044 |
Area: | 520.008 |
Solvation: | -2.95621 |
Coulombic: | -30.8192 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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