N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C17H14N2O3 — CID 10780119

IUPACN-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)
InChIKeyVAEZVMCCCWEXEH-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.37
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10780119) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID10780119
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22)
InChIKeyVAEZVMCCCWEXEH-UHFFFAOYSA-N
XLogP2.37
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-Hydroxyindoleacetic Acid
CID 1826
2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-
CID 10177
N-Coumaroyl serotonin
CID 5458879
Arachidonoyl Serotonin
CID 10027372
Cyt-1010
CID 44129692
Violacein
CID 11053
5-Hydroxy-1H-indole-3-acetaldehyde
CID 74688
N-((1R)-3-(4-Hydroxyphenyl)-1-methylpropyl)-2-(2-phenyl-1H-indol-3-YL)acetamide
CID 16750040
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327725
(9Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide
CID 24749268
Tyrphostin AG 808
CID 5329275

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 10780119) is N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1cccc(O)c1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VAEZVMCCCWEXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-12-5-3-4-11(8-12)9-19-17(22)16(21)14-10-18-15-7-2-1-6-13(14)15/h1-8,10,18,20H,9H2,(H,19,22).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 294.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10780119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).