2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide

C15H16N2O4 — CID 61317866

IUPAC2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2cccc(O)c2O)c1
InChIInChI=1S/C15H16N2O4/c16-14(19)9-21-12-5-2-4-11(7-12)17-8-10-3-1-6-13(18)15(10)20/h1-7,17-18,20H,8-9H2,(H2,16,19)
InChIKeyXOYFQMUVIDAQGK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.57
Rot. Bonds6

About 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide

2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide (PubChem CID 61317866) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide
PubChem CID61317866
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2cccc(O)c2O)c1
InChIInChI=1S/C15H16N2O4/c16-14(19)9-21-12-5-2-4-11(7-12)17-8-10-3-1-6-13(18)15(10)20/h1-7,17-18,20H,8-9H2,(H2,16,19)
InChIKeyXOYFQMUVIDAQGK-UHFFFAOYSA-N
XLogP1.57
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.57
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'}

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Related Compounds

2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719
2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenoxy]acetamide
CID 79156755
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
2-[3-(sulfamoylamino)phenoxy]acetamide
CID 112573308

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide (CID 61317866) is 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide is NC(=O)COc1cccc(NCc2cccc(O)c2O)c1.
What is the InChIKey of 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide?
The InChIKey is XOYFQMUVIDAQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-14(19)9-21-12-5-2-4-11(7-12)17-8-10-3-1-6-13(18)15(10)20/h1-7,17-18,20H,8-9H2,(H2,16,19).
What are the key properties of 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide?
2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide has a molecular weight of 288.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,3-dihydroxyphenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 61317866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).