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Chemical ID: 5546045
Chemical ID:
5546045
Name [?]:
N-(4-acetylphenyl)-2-(4-sec-butylphenoxy)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C20H23NO3/c1-4-14(2)16-7-11-19(12-8-16)24-13-20(23)21-18-9-5-17(6-10-18)15(3)22/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,4,24,2,18,20,6,10,17,21,7,9,12,3,22,5,19,16,8,13,15,23,14,11/E:(5,6)(7,8)(9,10)(11,12)/rA:24cCCCCCCCCCCOCCONCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.28684 |
Area: | 571.744 |
Solvation: | -5.00676 |
Coulombic: | -36.6305 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 325.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.49 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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