2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide

C20H22N2O4 — CID 3237782

IUPAC2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCc3ccccc3OC)c2C1=O
InChIInChI=1S/C20H22N2O4/c1-25-11-10-22-13-15-7-5-8-16(18(15)20(22)24)19(23)21-12-14-6-3-4-9-17(14)26-2/h3-9H,10-13H2,1-2H3,(H,21,23)
InChIKeyQOQKLLKNVIJYAX-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.23
Rot. Bonds7

About 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide

2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 3237782) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide
PubChem CID3237782
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide
SMILESCOCCN1Cc2cccc(C(=O)NCc3ccccc3OC)c2C1=O
InChIInChI=1S/C20H22N2O4/c1-25-11-10-22-13-15-7-5-8-16(18(15)20(22)24)19(23)21-12-14-6-3-4-9-17(14)26-2/h3-9H,10-13H2,1-2H3,(H,21,23)
InChIKeyQOQKLLKNVIJYAX-UHFFFAOYSA-N
XLogP2.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide (CID 3237782) is 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide is COCCN1Cc2cccc(C(=O)NCc3ccccc3OC)c2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is QOQKLLKNVIJYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-11-10-22-13-15-7-5-8-16(18(15)20(22)24)19(23)21-12-14-6-3-4-9-17(14)26-2/h3-9H,10-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide?
2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3237782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).