Chemical ID: 6041831

CCCCNC(=O)CN1c2cc(ccc2OCC1=O)C(C)(C)C
Chemical ID:
6041831
Name [?]:
N-butyl-2-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCCCNC(=O)CN1c2cc(ccc2OCC1=O)C(C)(C)C
InChi [?]:
InChI=1/C18H26N2O3/c1-5-6-9-19-16(21)11-20-14-10-13(18(2,3)4)7-8-15(14)23-12-17(20)22/h7-8,10H,5-6,9,11-12H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,2,3,13,14,4,11,8,17,12,10,15,6,18,20,5,9,7,19,16/E:(2,3,4)/rA:23nCCCCNCOCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s12;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.91566
Area:537.853
Solvation:-3.53067
Coulombic:-46.9797
Bond Count [?]
All:24
Single:19
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.411
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.13
LogP (Chemaxon):2.36

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Descriptor Annotations

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