N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide

C18H16N2O3 — CID 54771140

IUPACN-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c[nH]c3c(C)cccc23)cc1
InChIInChI=1S/C18H16N2O3/c1-11-4-3-5-14-15(10-19-16(11)14)17(21)18(22)20-12-6-8-13(23-2)9-7-12/h3-10,19H,1-2H3,(H,20,22)
InChIKeyQRDPRGIEPRXPMS-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.31
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide

N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 54771140) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID54771140
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)c2c[nH]c3c(C)cccc23)cc1
InChIInChI=1S/C18H16N2O3/c1-11-4-3-5-14-15(10-19-16(11)14)17(21)18(22)20-12-6-8-13(23-2)9-7-12/h3-10,19H,1-2H3,(H,20,22)
InChIKeyQRDPRGIEPRXPMS-UHFFFAOYSA-N
XLogP3.31
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.31
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-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 54771140) is N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)c2c[nH]c3c(C)cccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is QRDPRGIEPRXPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-4-3-5-14-15(10-19-16(11)14)17(21)18(22)20-12-6-8-13(23-2)9-7-12/h3-10,19H,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 308.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(7-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 54771140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).