N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide

C19H20N2O3 — CID 3159328

IUPACN-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
SMILESCOc1ccc2c(c1)C(NC(C)=O)C(=O)N2CCc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-13(22)20-18-16-12-15(24-2)8-9-17(16)21(19(18)23)11-10-14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3,(H,20,22)
InChIKeyOEBQBPSTDRUEMY-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.46
Rot. Bonds5

About N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide

N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide (PubChem CID 3159328) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
PubChem CID3159328
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide
SMILESCOc1ccc2c(c1)C(NC(C)=O)C(=O)N2CCc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-13(22)20-18-16-12-15(24-2)8-9-17(16)21(19(18)23)11-10-14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3,(H,20,22)
InChIKeyOEBQBPSTDRUEMY-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The IUPAC name of N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide (CID 3159328) is N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide is COc1ccc2c(c1)C(NC(C)=O)C(=O)N2CCc1ccccc1.
What is the InChIKey of N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
The InChIKey is OEBQBPSTDRUEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)20-18-16-12-15(24-2)8-9-17(16)21(19(18)23)11-10-14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide?
N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-oxo-1-(2-phenylethyl)-3H-indol-3-yl]acetamide is sourced from PubChem (CID 3159328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).