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Chemical ID: 5569528
Chemical ID:
5569528
Name [?]:
N-[2-[4-(2-acetamidophenyl)butyl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccccc1CCCCc2ccccc2NC(=O)C
InChi [?]:
InChI=1/C20H24N2O2/c1-15(23)21-19-13-7-5-11-17(19)9-3-4-10-18-12-6-8-14-20(18)22-16(2)24/h5-8,11-14H,3-4,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,12,13,8,17,7,18,11,14,9,16,6,19,2,22,10,15,5,20,4,21,3,23/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;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5001 |
Area: | 567.82 |
Solvation: | -3.69545 |
Coulombic: | -40.2327 |
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: | 3.17 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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