N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide

C19H24N2O4 — CID 46942683

IUPACN-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(C)CCN(C(=O)c2oc3ccccc3c2C)C1
InChIInChI=1S/C19H24N2O4/c1-13-14-6-4-5-7-15(14)25-16(13)17(22)21-10-8-19(2,12-21)18(23)20-9-11-24-3/h4-7H,8-12H2,1-3H3,(H,20,23)
InChIKeyXWZWAUYHXSWYSJ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.36
Rot. Bonds5

About N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide

N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 46942683) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID46942683
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1(C)CCN(C(=O)c2oc3ccccc3c2C)C1
InChIInChI=1S/C19H24N2O4/c1-13-14-6-4-5-7-15(14)25-16(13)17(22)21-10-8-19(2,12-21)18(23)20-9-11-24-3/h4-7H,8-12H2,1-3H3,(H,20,23)
InChIKeyXWZWAUYHXSWYSJ-UHFFFAOYSA-N
XLogP2.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide (CID 46942683) is N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide is COCCNC(=O)C1(C)CCN(C(=O)c2oc3ccccc3c2C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is XWZWAUYHXSWYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-14-6-4-5-7-15(14)25-16(13)17(22)21-10-8-19(2,12-21)18(23)20-9-11-24-3/h4-7H,8-12H2,1-3H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46942683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).