Chemical ID: 6735790

CCC(C)NC(=O)C(C)N1c2cc(ccc2OCC1=O)C
Chemical ID:
6735790
Name [?]:
2-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)NC(=O)C(C)N1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C16H22N2O3/c1-5-11(3)17-16(20)12(4)18-13-8-10(2)6-7-14(13)21-9-15(18)19/h6-8,11-12H,5,9H2,1-4H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,21,4,9,2,14,15,12,18,13,3,8,11,16,19,6,5,10,20,7,17/rA:21cCCCCNCOCCNCCCCCCOCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O3
All Atoms:43
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.01342
Area:484.379
Solvation:-4.09606
Coulombic:-45.5923
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.358
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.17
LogP (Chemaxon):1.75

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue