Chemical ID: 6552431

COc1cc2c(cc1OC)CN(CC2)CC(=O)N
Chemical ID:
6552431
Name [?]:
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILES [?]:
COc1cc2c(cc1OC)CN(CC2)CC(=O)N
InChi [?]:
InChI=1/C13H18N2O3/c1-17-11-5-9-3-4-15(8-13(14)16)7-10(9)6-12(11)18-2/h5-6H,3-4,7-8H2,1-2H3,(H2,14,16)
InChi Info:
AuxInfo=1/1/N:1,10,14,13,4,7,11,15,5,6,3,8,16,18,12,17,2,9/rA:18cCOCCCCCCOCCNCCCCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s5s13;s12;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:4.50679
Area:432.086
Solvation:-6.29536
Coulombic:-42.7392
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:250.294
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-0.16
LogP (Chemaxon):0.09

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