1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one

C16H24N2O2 — CID 63103726

IUPAC1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one
SMILESCCNC(CN1CC(C)CC1=O)c1cccc(OC)c1
InChIInChI=1S/C16H24N2O2/c1-4-17-15(11-18-10-12(2)8-16(18)19)13-6-5-7-14(9-13)20-3/h5-7,9,12,15,17H,4,8,10-11H2,1-3H3
InChIKeyGPBKQIURVAUYCN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds6

About 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one

1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one (PubChem CID 63103726) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one
PubChem CID63103726
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one
SMILESCCNC(CN1CC(C)CC1=O)c1cccc(OC)c1
InChIInChI=1S/C16H24N2O2/c1-4-17-15(11-18-10-12(2)8-16(18)19)13-6-5-7-14(9-13)20-3/h5-7,9,12,15,17H,4,8,10-11H2,1-3H3
InChIKeyGPBKQIURVAUYCN-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
CID 63104056
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965538
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
N-ethyl-1-(3-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166969
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one (CID 63103726) is 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one is CCNC(CN1CC(C)CC1=O)c1cccc(OC)c1.
What is the InChIKey of 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is GPBKQIURVAUYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17-15(11-18-10-12(2)8-16(18)19)13-6-5-7-14(9-13)20-3/h5-7,9,12,15,17H,4,8,10-11H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one?
1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-(3-methoxyphenyl)ethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63103726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).