2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide

C12H18N2O3 — CID 114132352

IUPAC2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cccc(O)c1O
InChIInChI=1S/C12H18N2O3/c1-3-14(2)11(16)8-13-7-9-5-4-6-10(15)12(9)17/h4-6,13,15,17H,3,7-8H2,1-2H3
InChIKeyGRBDORRTZZEZJT-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds5

About 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide

2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 114132352) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID114132352
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCc1cccc(O)c1O
InChIInChI=1S/C12H18N2O3/c1-3-14(2)11(16)8-13-7-9-5-4-6-10(15)12(9)17/h4-6,13,15,17H,3,7-8H2,1-2H3
InChIKeyGRBDORRTZZEZJT-UHFFFAOYSA-N
XLogP0.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
CID 114132777
N,N-diethyl-2-[(2-hydroxy-3-methylphenyl)methylamino]acetamide
CID 112554364
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 112568736
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
3-[2-[(2,3-dihydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116209
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
CID 104923539
N-ethyl-N-methyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699647
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
methyl 3-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]furan-2-carboxylate
CID 104928237
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide (CID 114132352) is 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCc1cccc(O)c1O.
What is the InChIKey of 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is GRBDORRTZZEZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-14(2)11(16)8-13-7-9-5-4-6-10(15)12(9)17/h4-6,13,15,17H,3,7-8H2,1-2H3.
What are the key properties of 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide?
2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxyphenyl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114132352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).