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Chemical ID: 7481267
Chemical ID:
7481267
Name [?]:
N-(m-tolyl)-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2cccc(c2)C
InChi [?]:
InChI=1/C19H23NO2/c1-3-4-5-13-22-18-11-9-16(10-12-18)19(21)20-17-8-6-7-15(2)14-17/h6-12,14H,3-5,13H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,4,18,19,17,9,11,8,12,5,21,20,10,16,7,13,15,14,6/E:(9,10)(11,12)/rA:22nCCCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6754 |
Area: | 545.514 |
Solvation: | -2.96248 |
Coulombic: | -31.144 |
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: | 5.26 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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