2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride

C17H26ClN3O2 — CID 119756000

IUPAC2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(11-18-3)17(22)19-13(2)14-6-4-7-15(10-14)20-9-5-8-16(20)21;/h4,6-7,10,12-13,18H,5,8-9,11H2,1-3H3,(H,19,22);1H
InChIKeyOIOILSIGDSHOBF-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.27
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119756000) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
PubChem CID119756000
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(11-18-3)17(22)19-13(2)14-6-4-7-15(10-14)20-9-5-8-16(20)21;/h4,6-7,10,12-13,18H,5,8-9,11H2,1-3H3,(H,19,22);1H
InChIKeyOIOILSIGDSHOBF-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026
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CID 119307558
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
CID 120609962
(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
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2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 124692957
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride (CID 119756000) is 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride is CNCC(C)C(=O)NC(C)c1cccc(N2CCCC2=O)c1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is OIOILSIGDSHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12(11-18-3)17(22)19-13(2)14-6-4-7-15(10-14)20-9-5-8-16(20)21;/h4,6-7,10,12-13,18H,5,8-9,11H2,1-3H3,(H,19,22);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119756000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).