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Chemical ID: 5079727
Chemical ID:
5079727
Name [?]:
N-[4-[4-(4-acetamidophenyl)butyl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)CCCCc2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C20H24N2O2/c1-15(23)21-19-11-7-17(8-12-19)5-3-4-6-18-9-13-20(14-10-18)22-16(2)24/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,12,13,11,14,7,9,16,20,6,10,17,19,2,22,8,15,5,18,4,21,3,23/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCCONCCCCCCCCCCCCCCCCNCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8777 |
Area: | 585.258 |
Solvation: | -3.75377 |
Coulombic: | -39.8424 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 324.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.01 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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