Chemical ID: 6042047

CCCCCCNC(=O)CN1c2cc(ccc2OCC1=O)C
Chemical ID:
6042047
Name [?]:
N-hexyl-2-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCCCCCNC(=O)CN1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C17H24N2O3/c1-3-4-5-6-9-18-16(20)11-19-14-10-13(2)7-8-15(14)22-12-17(19)21/h7-8,10H,3-6,9,11-12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,4,5,15,16,6,13,10,19,14,12,17,8,20,7,11,9,21,18/rA:22nCCCCCCNCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.86527
Area:537.634
Solvation:-3.57559
Coulombic:-46.6951
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.384
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.89
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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