Chemical ID: 6042030

CCCCNC(=O)CN1c2cc(ccc2OCC1=O)C
Chemical ID:
6042030
Name [?]:
N-butyl-2-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCCCNC(=O)CN1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C15H20N2O3/c1-3-4-7-16-14(18)9-17-12-8-11(2)5-6-13(12)20-10-15(17)19/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,13,14,4,11,8,17,12,10,15,6,18,5,9,7,19,16/rA:20nCCCCNCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s12;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.56954
Area:485.713
Solvation:-3.57327
Coulombic:-46.0865
Bond Count [?]
All:21
Single:16
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.331
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.75
LogP (Chemaxon):1.2

Name Annotations

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Descriptor Annotations

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