2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride

C15H22ClN3O2 — CID 119755928

IUPAC2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
SMILESCNCC(=O)NC(C)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(17-14(19)10-16-2)12-5-7-13(8-6-12)18-9-3-4-15(18)20;/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,19);1H
InChIKeyQXLQZXZJKWAOAT-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.63
Rot. Bonds5

About 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride

2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 119755928) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
PubChem CID119755928
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
SMILESCNCC(=O)NC(C)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(17-14(19)10-16-2)12-5-7-13(8-6-12)18-9-3-4-15(18)20;/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,19);1H
InChIKeyQXLQZXZJKWAOAT-UHFFFAOYSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755935
4-(2-oxopyrrolidin-1-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657710
4-(3,4-dimethylphenyl)-4-oxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]butanamide
CID 48824060
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938023
(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119307509
2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 124692825
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119755952
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124744134

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride (CID 119755928) is 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride is CNCC(=O)NC(C)c1ccc(N2CCCC2=O)cc1.Cl.
What is the InChIKey of 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is QXLQZXZJKWAOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11(17-14(19)10-16-2)12-5-7-13(8-6-12)18-9-3-4-15(18)20;/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride?
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119755928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).