Chemical ID: 6036781

CCN(CCC(=O)NCCC(C)C)C(=O)c1cc(oc1C)C
Chemical ID:
6036781
Name [?]:
N-ethyl-N-[2-(isopentylcarbamoyl)ethyl]-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
CCN(CCC(=O)NCCC(C)C)C(=O)c1cc(oc1C)C
InChi [?]:
InChI=1/C17H28N2O3/c1-6-19(10-8-16(20)18-9-7-12(2)3)17(21)15-11-13(4)22-14(15)5/h11-12H,6-10H2,1-5H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,12,13,22,21,2,10,5,9,4,17,11,18,20,16,6,14,8,3,7,15,19/E:(2,3)/rA:22nCCNCCCONCCCCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s11;s3;d14;s14;s16;d17;s18;d16s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6762
Area:559.958
Solvation:-3.32278
Coulombic:-43.86
Bond Count [?]
All:22
Single:18
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:308.416
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.26
LogP (Chemaxon):1.39

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Descriptor Annotations

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