4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride

C15H22ClN3O2 — CID 119781166

IUPAC4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-16-10-5-8-14(19)17-13-9-11-18(15(13)20)12-6-3-2-4-7-12;/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19);1H
InChIKeyPDYXQAGYOUPELZ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.33
Rot. Bonds6

About 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride

4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride (PubChem CID 119781166) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
PubChem CID119781166
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-16-10-5-8-14(19)17-13-9-11-18(15(13)20)12-6-3-2-4-7-12;/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19);1H
InChIKeyPDYXQAGYOUPELZ-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride (CID 119781166) is 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride is CNCCCC(=O)NC1CCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride?
The InChIKey is PDYXQAGYOUPELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-16-10-5-8-14(19)17-13-9-11-18(15(13)20)12-6-3-2-4-7-12;/h2-4,6-7,13,16H,5,8-11H2,1H3,(H,17,19);1H.
What are the key properties of 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride?
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119781166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).