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Chemical ID: 4144416
Chemical ID:
4144416
Name [?]:
N-(2-ethylphenyl)-4-phenoxy-butanamide
SMILES [?]:
CCc1ccccc1NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-2-15-9-6-7-12-17(15)19-18(20)13-8-14-21-16-10-4-3-5-11-16/h3-7,9-12H,2,8,13-14H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,5,6,13,4,17,21,7,12,14,3,16,8,10,9,11,15/E:(4,5)(10,11)/rA:21nCCCCCCCCNCOCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;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: | 9.26827 |
Area: | 515.264 |
Solvation: | -3.61332 |
Coulombic: | -29.065 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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