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

C16H18N2O3 — CID 61319910

IUPAC2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1cccc(O)c1O
InChIInChI=1S/C16H18N2O3/c1-17-15(20)9-11-5-2-3-7-13(11)18-10-12-6-4-8-14(19)16(12)21/h2-8,18-19,21H,9-10H2,1H3,(H,17,20)
InChIKeySDCWYNXDVFZQQR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.00
Rot. Bonds5

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

2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 61319910) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID61319910
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1cccc(O)c1O
InChIInChI=1S/C16H18N2O3/c1-17-15(20)9-11-5-2-3-7-13(11)18-10-12-6-4-8-14(19)16(12)21/h2-8,18-19,21H,9-10H2,1H3,(H,17,20)
InChIKeySDCWYNXDVFZQQR-UHFFFAOYSA-N
XLogP2.00
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.00
H-Bond Donors ≤ 54
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-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide
CID 61317267
3-[[2-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61318684
3-[(2-methylanilino)methyl]benzene-1,2-diol
CID 61320102
2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62344823
N-methyl-2-[2-(sulfamoylamino)phenyl]acetamide
CID 112573434
2-[2-(heptylamino)phenyl]-N-methylacetamide
CID 43692231
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 104879443
2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43692182
2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61317436
2-[2-(cyclopentylmethylamino)phenyl]-N-methylacetamide
CID 55030650
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 66411921

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide (CID 61319910) is 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NCc1cccc(O)c1O.
What is the InChIKey of 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is SDCWYNXDVFZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-15(20)9-11-5-2-3-7-13(11)18-10-12-6-4-8-14(19)16(12)21/h2-8,18-19,21H,9-10H2,1H3,(H,17,20).
What are the key properties of 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide?
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 286.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 61319910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).