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Chemical ID: 4477600
Chemical ID:
4477600
Name [?]:
N-(3-cyanophenyl)-2-(4-methoxyphenoxy)-propanamide
SMILES [?]:
CC(C(=O)Nc1cccc(c1)C#N)Oc2ccc(cc2)OC
InChi [?]:
InChI=1/C17H16N2O3/c1-12(22-16-8-6-15(21-2)7-9-16)17(20)19-14-5-3-4-13(10-14)11-18/h3-10,12H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,8,9,7,17,19,16,20,11,12,2,10,6,18,15,3,13,5,4,21,14/E:(6,7)(8,9)/rA:22cCCCONCCCCCCCNOCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;t12;s2;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.74242 |
Area: | 520.15 |
Solvation: | -5.26134 |
Coulombic: | -39.1968 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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