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Chemical ID: 7415347
Chemical ID:
7415347
Name [?]:
N-(4-ethylphenyl)-2-(4-formylphenoxy)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C17H17NO3/c1-2-13-3-7-15(8-4-13)18-17(20)12-21-16-9-5-14(11-19)6-10-16/h3-11H,2,12H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,16,18,5,7,15,19,20,12,3,17,6,14,10,9,21,11,13/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCNCOCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO3 |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12699 |
Area: | 509.018 |
Solvation: | -5.59846 |
Coulombic: | -35.2674 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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