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Chemical ID: 7299849
Chemical ID:
7299849
Name [?]:
2-(2-cyanophenoxy)-N-(2-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COc2ccccc2C#N
InChi [?]:
InChI=1/C19H20N2O2/c1-3-14(2)16-9-5-6-10-17(16)21-19(22)13-23-18-11-7-4-8-15(18)12-20/h4-11,14H,3,13H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,7,8,18,20,6,9,17,22,14,3,21,5,10,16,12,23,11,13,15/rA:23cCCCCCCCCCCNCOCOCCCCCCCN/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.01291 |
Area: | 547.983 |
Solvation: | -4.68666 |
Coulombic: | -33.0 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 308.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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