1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one

C17H26N2O2 — CID 60930710

IUPAC1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
SMILESCOc1cc(C)ccc1C(C)NC(C)CN1CCCC1=O
InChIInChI=1S/C17H26N2O2/c1-12-7-8-15(16(10-12)21-4)14(3)18-13(2)11-19-9-5-6-17(19)20/h7-8,10,13-14,18H,5-6,9,11H2,1-4H3
InChIKeyLBGLFLYIAGQSMS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.67
Rot. Bonds6

About 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one

1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one (PubChem CID 60930710) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
PubChem CID60930710
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
SMILESCOc1cc(C)ccc1C(C)NC(C)CN1CCCC1=O
InChIInChI=1S/C17H26N2O2/c1-12-7-8-15(16(10-12)21-4)14(3)18-13(2)11-19-9-5-6-17(19)20/h7-8,10,13-14,18H,5-6,9,11H2,1-4H3
InChIKeyLBGLFLYIAGQSMS-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60931344
1-[2-[1-(4-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 82963383
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 113261809
1-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]pyrrolidin-2-one
CID 81329590
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60936415
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893267
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one (CID 60930710) is 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one is COc1cc(C)ccc1C(C)NC(C)CN1CCCC1=O.
What is the InChIKey of 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one?
The InChIKey is LBGLFLYIAGQSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-8-15(16(10-12)21-4)14(3)18-13(2)11-19-9-5-6-17(19)20/h7-8,10,13-14,18H,5-6,9,11H2,1-4H3.
What are the key properties of 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one?
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60930710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).