4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride

C17H26ClN3O2 — CID 120562641

IUPAC4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
SMILESCCN(C(=O)CCC(C)N)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-19(16(21)10-9-13(2)18)15-11-12-20(17(15)22)14-7-5-4-6-8-14;/h4-8,13,15H,3,9-12,18H2,1-2H3;1H
InChIKeyVWUWATJYEKYDDE-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.19
Rot. Bonds6

About 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride

4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride (PubChem CID 120562641) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
PubChem CID120562641
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
SMILESCCN(C(=O)CCC(C)N)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-19(16(21)10-9-13(2)18)15-11-12-20(17(15)22)14-7-5-4-6-8-14;/h4-8,13,15H,3,9-12,18H2,1-2H3;1H
InChIKeyVWUWATJYEKYDDE-UHFFFAOYSA-N
XLogP2.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 119319409
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3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
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2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
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3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride (CID 120562641) is 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride is CCN(C(=O)CCC(C)N)C1CCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride?
The InChIKey is VWUWATJYEKYDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-3-19(16(21)10-9-13(2)18)15-11-12-20(17(15)22)14-7-5-4-6-8-14;/h4-8,13,15H,3,9-12,18H2,1-2H3;1H.
What are the key properties of 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride?
4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride is sourced from PubChem (CID 120562641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).