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Chemical ID: 6333421
Chemical ID:
6333421
Name [?]:
2-phenoxy-N-(2-phenoxyphenyl)-butanamide
SMILES [?]:
CCC(C(=O)Nc1ccccc1Oc2ccccc2)Oc3ccccc3
InChi [?]:
InChI=1/C22H21NO3/c1-2-20(25-17-11-5-3-6-12-17)22(24)23-19-15-9-10-16-21(19)26-18-13-7-4-8-14-18/h3-16,20H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,24,17,23,25,16,18,9,10,22,26,15,19,8,11,21,14,7,3,12,4,6,5,20,13/E:(5,6)(7,8)(11,12)(13,14)/rA:26cCCCCONCCCCCCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s16;d17;d14s18;s3;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.596 |
Area: | 568.672 |
Solvation: | -3.62077 |
Coulombic: | -40.8901 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.04 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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