Chemical ID: 5546045

CCC(C)c1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)C
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

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Descriptor Annotations

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