(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

C14H18N2O3 — CID 92750576

IUPAC(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-19-10-8-15-13(17)12-7-9-16(14(12)18)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyZFNQZYKPZJLGBW-GFCCVEGCSA-N
MW262.31 g/mol
LogP0.80
Rot. Bonds5

About (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 92750576) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID92750576
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-19-10-8-15-13(17)12-7-9-16(14(12)18)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyZFNQZYKPZJLGBW-GFCCVEGCSA-N
XLogP0.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 92750576) is (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide is COCCNC(=O)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is ZFNQZYKPZJLGBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-10-8-15-13(17)12-7-9-16(14(12)18)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92750576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).