Chemical ID: 6210815

CN(C)CCNC(=O)CN1c2ccccc2OCC1=O
Chemical ID:
6210815
Name [?]:
N-(2-dimethylaminoethyl)-2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CN(C)CCNC(=O)CN1c2ccccc2OCC1=O
InChi [?]:
InChI=1/C14H19N3O3/c1-16(2)8-7-15-13(18)9-17-11-5-3-4-6-12(11)20-10-14(17)19/h3-6H,7-10H2,1-2H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,15,5,4,9,18,11,16,7,19,6,2,10,8,20,17/E:(1,2)/rA:20nCNCCCNCOCNCCCCCCOCCO/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.7474
Area:477.486
Solvation:-4.18975
Coulombic:-50.2687
Bond Count [?]
All:21
Single:16
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.319
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-0.18
LogP (Chemaxon):-0.5

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