Chemical ID: 6036989

CCN(CCC(=O)NCc1ccccc1)C(=O)c2ccoc2C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue