N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide

C16H18N2O3 — CID 61317882

IUPACN-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc(O)c1O)NCc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-8-4-7-13(16(14)21)10-17-11-15(20)18-9-12-5-2-1-3-6-12/h1-8,17,19,21H,9-11H2,(H,18,20)
InChIKeyAKLBEOWGRVNURK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.50
Rot. Bonds6

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

N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide (PubChem CID 61317882) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
PubChem CID61317882
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc(O)c1O)NCc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14-8-4-7-13(16(14)21)10-17-11-15(20)18-9-12-5-2-1-3-6-12/h1-8,17,19,21H,9-11H2,(H,18,20)
InChIKeyAKLBEOWGRVNURK-UHFFFAOYSA-N
XLogP1.50
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.50
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

N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
N-benzyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 103948345
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
2-[(2,3-dihydroxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 61318874
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
N-benzyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetamide
CID 62475319
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide (CID 61317882) is N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide is O=C(CNCc1cccc(O)c1O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide?
The InChIKey is AKLBEOWGRVNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-8-4-7-13(16(14)21)10-17-11-15(20)18-9-12-5-2-1-3-6-12/h1-8,17,19,21H,9-11H2,(H,18,20).
What are the key properties of N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide?
N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2,3-dihydroxyphenyl)methylamino]acetamide is sourced from PubChem (CID 61317882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).