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Chemical ID: 6398239
Chemical ID:
6398239
Name [?]:
N-(2-methoxyphenyl)-3-phenyl-propanamide
SMILES [?]:
COc1ccccc1NC(=O)CCc2ccccc2
InChi [?]:
InChI=1/C16H17NO2/c1-19-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,6,5,15,19,7,4,13,12,14,8,3,10,9,11,2/E:(3,4)(7,8)/rA:19nCOCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59457 |
Area: | 464.408 |
Solvation: | -3.01562 |
Coulombic: | -29.8654 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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