Chemical ID: 6042028

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NCC(C)C
Chemical ID:
6042028
Name [?]:
N-isobutyl-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NCC(C)C
InChi [?]:
InChI=1/C15H20N2O3/c1-10(2)7-16-14(18)8-17-12-6-11(3)4-5-13(12)20-9-15(17)19/h4-6,10H,7-9H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:19,20,1,3,4,7,17,13,11,18,2,6,5,14,9,16,8,15,10,12/E:(1,2)/rA:20nCCCCCCCNCOCOCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.8575
Area:478.163
Solvation:-4.09657
Coulombic:-45.4581
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.331
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):1.2

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