2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide

C16H22N2O4 — CID 66862558

IUPAC2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide
SMILESCOCCO[C@@H](c1ccccc1)C1CCN(C(=O)C(N)=O)C1
InChIInChI=1S/C16H22N2O4/c1-21-9-10-22-14(12-5-3-2-4-6-12)13-7-8-18(11-13)16(20)15(17)19/h2-6,13-14H,7-11H2,1H3,(H2,17,19)/t13?,14-/m0/s1
InChIKeyWGZMUMFHCDVYPC-KZUDCZAMSA-N
MW306.36 g/mol
LogP0.72
Rot. Bonds6

About 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide

2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 66862558) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide
PubChem CID66862558
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide
SMILESCOCCO[C@@H](c1ccccc1)C1CCN(C(=O)C(N)=O)C1
InChIInChI=1S/C16H22N2O4/c1-21-9-10-22-14(12-5-3-2-4-6-12)13-7-8-18(11-13)16(20)15(17)19/h2-6,13-14H,7-11H2,1H3,(H2,17,19)/t13?,14-/m0/s1
InChIKeyWGZMUMFHCDVYPC-KZUDCZAMSA-N
XLogP0.72
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide (CID 66862558) is 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide is COCCO[C@@H](c1ccccc1)C1CCN(C(=O)C(N)=O)C1.
What is the InChIKey of 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is WGZMUMFHCDVYPC-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-9-10-22-14(12-5-3-2-4-6-12)13-7-8-18(11-13)16(20)15(17)19/h2-6,13-14H,7-11H2,1H3,(H2,17,19)/t13?,14-/m0/s1.
What are the key properties of 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide?
2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 306.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(R)-2-methoxyethoxy(phenyl)methyl]pyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 66862558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).