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Chemical ID: 4598763
Chemical ID:
4598763
Name [?]:
5-methyl-N-phenethyl-furan-2-carboxamide
SMILES [?]:
Cc1ccc(o1)C(=O)NCCc2ccccc2
InChi [?]:
InChI=1/C14H15NO2/c1-11-7-8-13(17-11)14(16)15-10-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,3,4,11,10,2,12,5,7,9,8,6/E:(3,4)(5,6)/rA:17nCCCCCOCONCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.98429 |
Area: | 443.955 |
Solvation: | -2.1146 |
Coulombic: | -32.0494 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 229.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.23 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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