1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride

C17H26ClN3O2 — CID 120827980

IUPAC1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCc1ccccc1N1CC(C(=O)NCC(C)NC)CC1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-4-13-7-5-6-8-15(13)20-11-14(9-16(20)21)17(22)19-10-12(2)18-3;/h5-8,12,14,18H,4,9-11H2,1-3H3,(H,19,22);1H
InChIKeyKREFPKGQGWHTCX-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.75
Rot. Bonds6

About 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride

1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120827980) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120827980
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCc1ccccc1N1CC(C(=O)NCC(C)NC)CC1=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-4-13-7-5-6-8-15(13)20-11-14(9-16(20)21)17(22)19-10-12(2)18-3;/h5-8,12,14,18H,4,9-11H2,1-3H3,(H,19,22);1H
InChIKeyKREFPKGQGWHTCX-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
N-(2-amino-2-phenylethyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119528627
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
(3S)-1-(2-ethylphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 52726455
(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 52726453
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238
N-[2-(ethylamino)ethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119507215
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
1-(3,5-dichlorophenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120832737
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120827980) is 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCc1ccccc1N1CC(C(=O)NCC(C)NC)CC1=O.Cl.
What is the InChIKey of 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is KREFPKGQGWHTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-4-13-7-5-6-8-15(13)20-11-14(9-16(20)21)17(22)19-10-12(2)18-3;/h5-8,12,14,18H,4,9-11H2,1-3H3,(H,19,22);1H.
What are the key properties of 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride?
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120827980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).