Chemical ID: 6915523

CCCCCC(=O)CC(=O)NC1CCOC1=O
Chemical ID:
6915523
Name [?]:
3-oxo-N-(2-oxotetrahydrofuran-3-yl)-octanamide
SMILES [?]:
CCCCCC(=O)CC(=O)NC1CCOC1=O
InChi [?]:
InChI=1/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,13,14,8,6,12,9,16,11,7,10,17,15/rA:17cCCCCCCOCCONCCCOCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s9;s11;s12;s13;s14;s12s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO4
All Atoms:36
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:4.60553
Area:454.414
Solvation:-6.75482
Coulombic:-41.6826
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:241.284
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.31
LogP (Chemaxon):1.08

Name Annotations

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Descriptor Annotations

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