Chemical ID: 5249045

CCN(CC)C(=O)c1cccc(c1OC)OC
Chemical ID:
5249045
Name [?]:
N,N-diethyl-2,3-dimethoxy-benzamide
SMILES [?]:
CCN(CC)C(=O)c1cccc(c1OC)OC
InChi [?]:
InChI=1/C13H19NO3/c1-5-14(6-2)13(15)10-8-7-9-11(16-3)12(10)17-4/h7-9H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,17,15,2,4,10,9,11,8,12,13,6,3,7,16,14/E:(1,2)(5,6)/rA:17nCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s12;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.41989
Area:414.58
Solvation:-4.94461
Coulombic:-31.5375
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.98
LogP (Chemaxon):1.37

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