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Chemical ID: 7481289
Chemical ID:
7481289
Name [?]:
N-(4-acetylphenyl)-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C20H23NO3/c1-3-4-5-14-24-19-12-8-17(9-13-19)20(23)21-18-10-6-16(7-11-18)15(2)22/h6-13H,3-5,14H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,4,18,20,9,11,17,21,8,12,5,22,19,10,16,7,13,15,23,14,6/E:(6,7)(8,9)(10,11)(12,13)/rA:24nCCCCCOCCCCCCCONCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO3 |
All Atoms: | 47 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5067 |
Area: | 580.887 |
Solvation: | -4.01546 |
Coulombic: | -37.798 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 325.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.67 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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