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Chemical ID: 6036989
Chemical ID:
6036989
Name [?]:
N-[2-(benzylcarbamoyl)ethyl]-N-ethyl-2-methyl-furan-3-carboxamide
SMILES [?]:
CCN(CCC(=O)NCc1ccccc1)C(=O)c2ccoc2C
InChi [?]:
InChI=1/C18H22N2O3/c1-3-20(18(22)16-10-12-23-14(16)2)11-9-17(21)19-13-15-7-5-4-6-8-15/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,13,12,14,11,15,5,19,4,20,9,22,10,18,6,16,8,3,7,17,21/E:(5,6)(7,8)/rA:23nCCNCCCONCCCCCCCCOCCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s3;d16;s16;s18;d19;s20;d18s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0719 |
Area: | 549.824 |
Solvation: | -3.67368 |
Coulombic: | -44.8465 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 314.379 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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