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Chemical ID: 6364269
Chemical ID:
6364269
Name [?]:
2-ethyl-N-(2-phenoxyphenyl)-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1ccccc1Oc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-3-14(4-2)18(20)19-16-12-8-9-13-17(16)21-15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,18,20,11,12,17,21,10,13,3,16,9,14,6,8,7,15/E:(1,2)(3,4)(6,7)(10,11)/rA:21nCCCCCCONCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0831 |
Area: | 493.367 |
Solvation: | -2.25112 |
Coulombic: | -31.5364 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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