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Chemical ID: 4232071
Chemical ID:
4232071
Name [?]:
N-(3-isopropoxyphenyl)-3-methyl-furan-2-carboxamide
SMILES [?]:
Cc1ccoc1C(=O)Nc2cccc(c2)OC(C)C
InChi [?]:
InChI=1/C15H17NO3/c1-10(2)19-13-6-4-5-12(9-13)16-15(17)14-11(3)7-8-18-14/h4-10H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:18,19,1,12,11,13,3,4,15,17,2,10,14,6,7,9,8,5,16/E:(1,2)/rA:19nCCCCOCCONCCCCCCOCCC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6631 |
Area: | 460.166 |
Solvation: | -2.84104 |
Coulombic: | -38.1523 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.63 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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