2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide

C16H17NO3 — CID 113199018

IUPAC2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-11(13-5-3-2-4-6-13)17-16(20)10-12-7-8-14(18)15(19)9-12/h2-9,11,18-19H,10H2,1H3,(H,17,20)
InChIKeyFDVTWRMCKBNWOY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.52
Rot. Bonds4

About 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide

2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide (PubChem CID 113199018) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide
PubChem CID113199018
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-11(13-5-3-2-4-6-13)17-16(20)10-12-7-8-14(18)15(19)9-12/h2-9,11,18-19H,10H2,1H3,(H,17,20)
InChIKeyFDVTWRMCKBNWOY-UHFFFAOYSA-N
XLogP2.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane
CID 144787004
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
CID 63589427
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1-phenylethyl)acetamide
CID 110770933
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
2-amino-N-(1-phenylethyl)acetamide
CID 10631169

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide (CID 113199018) is 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide?
The InChIKey is FDVTWRMCKBNWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(13-5-3-2-4-6-13)17-16(20)10-12-7-8-14(18)15(19)9-12/h2-9,11,18-19H,10H2,1H3,(H,17,20).
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide?
2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113199018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).