3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide

C19H28N2O4 — CID 95288338

IUPAC3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
SMILESCOCCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C19H28N2O4/c1-24-13-14-25-12-9-18(22)20-17(15-16-7-3-2-4-8-16)19(23)21-10-5-6-11-21/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyNPWSVPNDCFCFDD-KRWDZBQOSA-N
MW348.44 g/mol
LogP1.39
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide

3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide (PubChem CID 95288338) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
PubChem CID95288338
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
SMILESCOCCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C19H28N2O4/c1-24-13-14-25-12-9-18(22)20-17(15-16-7-3-2-4-8-16)19(23)21-10-5-6-11-21/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyNPWSVPNDCFCFDD-KRWDZBQOSA-N
XLogP1.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.39
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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Related Compounds

2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762028
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 60611406
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide (CID 95288338) is 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide is COCCOCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide?
The InChIKey is NPWSVPNDCFCFDD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-13-14-25-12-9-18(22)20-17(15-16-7-3-2-4-8-16)19(23)21-10-5-6-11-21/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide?
3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide has a molecular weight of 348.44 g/mol, XLogP of 1.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide is sourced from PubChem (CID 95288338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).