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Chemical ID: 4347433
Chemical ID:
4347433
Name [?]:
2-(3-methylphenoxy)-N-(4-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)NC(=O)COc2cccc(c2)C
InChi [?]:
InChI=1/C19H23NO2/c1-4-15(3)16-8-10-17(11-9-16)20-19(21)13-22-18-7-5-6-14(2)12-18/h5-12,15H,4,13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,2,18,19,17,6,10,7,9,21,14,20,3,5,8,16,12,11,13,15/E:(8,9)(10,11)/rA:22cCCCCCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.45871 |
Area: | 535.822 |
Solvation: | -3.93684 |
Coulombic: | -30.0241 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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