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Chemical ID: 4156043
Chemical ID:
4156043
Name [?]:
N-(2,6-diethylphenyl)-3-phenyl-propanamide
SMILES [?]:
CCc1cccc(c1NC(=O)CCc2ccccc2)CC
InChi [?]:
InChI=1/C19H23NO/c1-3-16-11-8-12-17(4-2)19(16)20-18(21)14-13-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,17,16,18,5,15,19,4,6,13,12,14,3,7,10,8,9,11/E:(1,2)(3,4)(6,7)(9,10)(11,12)(16,17)/rA:21nCCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s7;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5843 |
Area: | 509.549 |
Solvation: | -2.15444 |
Coulombic: | -22.7395 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 281.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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