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Chemical ID: 6948265
Chemical ID:
6948265
Name [?]:
2-phenoxy-N-(2-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)COc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-3-14(2)16-11-7-8-12-17(16)19-18(20)13-21-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,18,20,7,8,17,21,6,9,14,3,16,5,10,12,11,13,15/E:(5,6)(9,10)/rA:21cCCCCCCCCCCNCOCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.80261 |
Area: | 508.779 |
Solvation: | -3.91687 |
Coulombic: | -30.4109 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.44 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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