2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide

C20H22N2O3 — CID 20855922

IUPAC2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCCc3ccccc3)c2C1=O
InChIInChI=1S/C20H22N2O3/c1-25-13-12-22-14-16-8-5-9-17(18(16)20(22)24)19(23)21-11-10-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyAPJUVJPINUWQPM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.26
Rot. Bonds7

About 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide (PubChem CID 20855922) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide
PubChem CID20855922
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCCc3ccccc3)c2C1=O
InChIInChI=1S/C20H22N2O3/c1-25-13-12-22-14-16-8-5-9-17(18(16)20(22)24)19(23)21-11-10-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyAPJUVJPINUWQPM-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide (CID 20855922) is 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)NCCc3ccccc3)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide?
The InChIKey is APJUVJPINUWQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-13-12-22-14-16-8-5-9-17(18(16)20(22)24)19(23)21-11-10-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,21,23).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 20855922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).