2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide

C19H18N2O3 — CID 5296029

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13-17(15-9-5-6-10-16(15)21-13)18(22)19(23)20-11-12-24-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,20,23)
InChIKeyHMCYRGFFEYDWPF-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.85
Rot. Bonds6

About 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide (PubChem CID 5296029) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
PubChem CID5296029
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13-17(15-9-5-6-10-16(15)21-13)18(22)19(23)20-11-12-24-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,20,23)
InChIKeyHMCYRGFFEYDWPF-UHFFFAOYSA-N
XLogP2.85
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90537914
N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 47049339
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
N-[(2-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 2985901
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-phenoxyphenyl)acetamide
CID 44596683
N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 7117693
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 39040258
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556340
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 39046052
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide (CID 5296029) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide?
The InChIKey is HMCYRGFFEYDWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-17(15-9-5-6-10-16(15)21-13)18(22)19(23)20-11-12-24-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,20,23).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 5296029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).