Chemical ID: 6036987

CCC(C)NC(=O)CCN(CC)C(=O)c1ccoc1C
Chemical ID:
6036987
Name [?]:
N-ethyl-2-methyl-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(CC)C(=O)c1ccoc1C
InChi [?]:
InChI=1/C15H24N2O3/c1-5-11(3)16-14(18)7-9-17(6-2)15(19)13-8-10-20-12(13)4/h8,10-11H,5-7,9H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,12,4,20,2,11,8,16,9,17,3,19,15,6,13,5,10,7,14,18/rA:20cCCCCNCOCCNCCCOCCCOCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s10;d13;s13;s15;d16;s17;d15s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.17012
Area:510.24
Solvation:-3.58589
Coulombic:-43.4157
Bond Count [?]
All:20
Single:16
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:280.363
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.4
LogP (Chemaxon):1.06

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