N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide

C13H20N2O4 — CID 107731050

IUPACN-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(O)c(O)c1O
InChIInChI=1S/C13H20N2O4/c1-4-15(3)13(19)8(2)14-7-9-5-6-10(16)12(18)11(9)17/h5-6,8,14,16-18H,4,7H2,1-3H3
InChIKeyWFWYBQOLBBNENL-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.76
Rot. Bonds5

About N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide

N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide (PubChem CID 107731050) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
PubChem CID107731050
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(O)c(O)c1O
InChIInChI=1S/C13H20N2O4/c1-4-15(3)13(19)8(2)14-7-9-5-6-10(16)12(18)11(9)17/h5-6,8,14,16-18H,4,7H2,1-3H3
InChIKeyWFWYBQOLBBNENL-UHFFFAOYSA-N
XLogP0.76
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 103275902
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103108692
N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 103107033
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
1-pyrrolidin-1-yl-2-[(2,3,4-trihydroxyphenyl)methylamino]propan-1-one
CID 107731003
2-[[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylamino]-N-ethyl-N-methylpropanamide
CID 103110690
N-ethyl-N-methyl-2-(thiadiazol-4-ylmethylamino)propanamide
CID 103108067
2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107113
4-[(pentan-2-ylamino)methyl]benzene-1,2,3-triol
CID 103953204
2-[(5-bromo-2-nitrophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107680
N-ethyl-N-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 103107561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide (CID 107731050) is N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide is CCN(C)C(=O)C(C)NCc1ccc(O)c(O)c1O.
What is the InChIKey of N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide?
The InChIKey is WFWYBQOLBBNENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-15(3)13(19)8(2)14-7-9-5-6-10(16)12(18)11(9)17/h5-6,8,14,16-18H,4,7H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide?
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide has a molecular weight of 268.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide is sourced from PubChem (CID 107731050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).