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Chemical ID: 5156802
Chemical ID:
5156802
Name [?]:
2-cyano-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-propanamide
SMILES [?]:
COc1ccc(cc1)CC(C#N)C(=O)Nc2ccccc2OC
InChi [?]:
InChI=1/C18H18N2O3/c1-22-15-9-7-13(8-10-15)11-14(12-19)18(21)20-16-5-3-4-6-17(16)23-2/h3-10,14H,11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,18,19,17,20,5,7,4,8,9,11,6,10,3,16,21,13,12,15,14,2,22/E:(7,8)(9,10)/rA:23cCOCCCCCCCCCNCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;t11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.39384 |
Area: | 530.837 |
Solvation: | -4.8771 |
Coulombic: | -38.6026 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 310.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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