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

C19H18N2O3 — CID 45485155

IUPACN-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-2-24-14-9-7-13(8-10-14)11-21-19(23)18(22)16-12-20-17-6-4-3-5-15(16)17/h3-10,12,20H,2,11H2,1H3,(H,21,23)
InChIKeyPMUNTZNQJXADSO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.07
Rot. Bonds6

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

N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 45485155) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID45485155
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N2O3/c1-2-24-14-9-7-13(8-10-14)11-21-19(23)18(22)16-12-20-17-6-4-3-5-15(16)17/h3-10,12,20H,2,11H2,1H3,(H,21,23)
InChIKeyPMUNTZNQJXADSO-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 45485155) is N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is CCOc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is PMUNTZNQJXADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-14-9-7-13(8-10-14)11-21-19(23)18(22)16-12-20-17-6-4-3-5-15(16)17/h3-10,12,20H,2,11H2,1H3,(H,21,23).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 322.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 45485155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).