N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C17H14N2O4 — CID 10733730

IUPACN-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)
InChIKeyQCMQLUNTDWCTCG-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.08
Rot. Bonds4

About N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10733730) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID10733730
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23)
InChIKeyQCMQLUNTDWCTCG-UHFFFAOYSA-N
XLogP2.08
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 10733730) is N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is QCMQLUNTDWCTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-14-6-5-10(7-15(14)21)8-19-17(23)16(22)12-9-18-13-4-2-1-3-11(12)13/h1-7,9,18,20-21H,8H2,(H,19,23).
What are the key properties of N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 310.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10733730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).