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Chemical ID: 4449735
Chemical ID:
4449735
Name [?]:
2-(3-methylphenoxy)-N-(2-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COc2cccc(c2)C
InChi [?]:
InChI=1/C19H23NO2/c1-4-15(3)17-10-5-6-11-18(17)20-19(21)13-22-16-9-7-8-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,4,2,7,8,18,19,17,6,9,21,14,20,3,16,5,10,12,11,13,15/rA:22cCCCCCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;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: | 9.38402 |
Area: | 531.738 |
Solvation: | -3.90942 |
Coulombic: | -30.2069 |
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: | 4.88 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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