N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C17H26ClN3O2 — CID 120653192

IUPACN-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-4-18-13(3)10-19-17(22)14-9-16(21)20(11-14)15-7-5-12(2)6-8-15;/h5-8,13-14,18H,4,9-11H2,1-3H3,(H,19,22);1H/t13-,14?;/m1./s1
InChIKeyMIAKGORTZCGMHP-JRLNIEDVSA-N
MW339.87 g/mol
LogP1.88
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120653192) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID120653192
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-4-18-13(3)10-19-17(22)14-9-16(21)20(11-14)15-7-5-12(2)6-8-15;/h5-8,13-14,18H,4,9-11H2,1-3H3,(H,19,22);1H/t13-,14?;/m1./s1
InChIKeyMIAKGORTZCGMHP-JRLNIEDVSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120653013
N-(3-amino-2-methylpropyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119996455
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 86984966
1-(2,4-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120651750
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 120653192) is N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MIAKGORTZCGMHP-JRLNIEDVSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-4-18-13(3)10-19-17(22)14-9-16(21)20(11-14)15-7-5-12(2)6-8-15;/h5-8,13-14,18H,4,9-11H2,1-3H3,(H,19,22);1H/t13-,14?;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120653192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).