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Chemical ID: 4391294
Chemical ID:
4391294
Name [?]:
N-benzyl-N-isopropyl-furan-2-carboxamide
SMILES [?]:
CC(C)N(Cc1ccccc1)C(=O)c2ccco2
InChi [?]:
InChI=1/C15H17NO2/c1-12(2)16(11-13-7-4-3-5-8-13)15(17)14-9-6-10-18-14/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,8,10,16,7,11,15,17,5,2,6,14,12,4,13,18/E:(1,2)(4,5)(7,8)/rA:18nCCCNCCCCCCCCOCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s4;d12;s12;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49677 |
Area: | 415.265 |
Solvation: | -1.88487 |
Coulombic: | -28.3002 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.86 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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