2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride

C18H28ClN3O3 — CID 119762028

IUPAC2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-24-12-9-19-14-17(22)20-16(13-15-7-3-2-4-8-15)18(23)21-10-5-6-11-21;/h2-4,7-8,16,19H,5-6,9-14H2,1H3,(H,20,22);1H
InChIKeyOLXVFZMBNHCTTN-UHFFFAOYSA-N
MW369.89 g/mol
LogP0.99
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride

2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride (PubChem CID 119762028) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
PubChem CID119762028
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-24-12-9-19-14-17(22)20-16(13-15-7-3-2-4-8-15)18(23)21-10-5-6-11-21;/h2-4,7-8,16,19H,5-6,9-14H2,1H3,(H,20,22);1H
InChIKeyOLXVFZMBNHCTTN-UHFFFAOYSA-N
XLogP0.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 95288338
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
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
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride (CID 119762028) is 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride is COCCNCC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride?
The InChIKey is OLXVFZMBNHCTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-24-12-9-19-14-17(22)20-16(13-15-7-3-2-4-8-15)18(23)21-10-5-6-11-21;/h2-4,7-8,16,19H,5-6,9-14H2,1H3,(H,20,22);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119762028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).