Chemical ID: 4259617

CCN(CC)C(=O)c1ccc(c(c1)OC)O
Chemical ID:
4259617
Name [?]:
N,N-diethyl-4-hydroxy-3-methoxy-benzamide
SMILES [?]:
CCN(CC)C(=O)c1ccc(c(c1)OC)O
InChi [?]:
InChI=1/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,9,10,13,8,11,12,6,3,16,7,14/E:(1,2)(4,5)/rA:16nCCNCCCOCCCCCCOCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.27392
Area:407.003
Solvation:-3.90115
Coulombic:-40.4491
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.92
LogP (Chemaxon):1.34

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