N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

C17H14N2O3 — CID 44596347

IUPACN-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)Nc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C17H14N2O3/c1-19-10-14(13-4-2-3-5-15(13)19)16(21)17(22)18-11-6-8-12(20)9-7-11/h2-10,20H,1H3,(H,18,22)
InChIKeySVAXCPLAEGNJNS-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.71
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide

N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 44596347) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID44596347
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)Nc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C17H14N2O3/c1-19-10-14(13-4-2-3-5-15(13)19)16(21)17(22)18-11-6-8-12(20)9-7-11/h2-10,20H,1H3,(H,18,22)
InChIKeySVAXCPLAEGNJNS-UHFFFAOYSA-N
XLogP2.71
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 44596347) is N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is Cn1cc(C(=O)C(=O)Nc2ccc(O)cc2)c2ccccc21.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is SVAXCPLAEGNJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-19-10-14(13-4-2-3-5-15(13)19)16(21)17(22)18-11-6-8-12(20)9-7-11/h2-10,20H,1H3,(H,18,22).
What are the key properties of N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 294.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 44596347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).