1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one

C18H28N2O — CID 63103731

IUPAC1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one
SMILESCCNC(CN1CC(C)CC1=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-5-19-17(12-20-11-14(4)10-18(20)21)16-8-6-15(7-9-16)13(2)3/h6-9,13-14,17,19H,5,10-12H2,1-4H3
InChIKeyZUIXSORMMROXRG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.33
Rot. Bonds6

About 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one

1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one (PubChem CID 63103731) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one
PubChem CID63103731
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one
SMILESCCNC(CN1CC(C)CC1=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-5-19-17(12-20-11-14(4)10-18(20)21)16-8-6-15(7-9-16)13(2)3/h6-9,13-14,17,19H,5,10-12H2,1-4H3
InChIKeyZUIXSORMMROXRG-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one (CID 63103731) is 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one is CCNC(CN1CC(C)CC1=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is ZUIXSORMMROXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-19-17(12-20-11-14(4)10-18(20)21)16-8-6-15(7-9-16)13(2)3/h6-9,13-14,17,19H,5,10-12H2,1-4H3.
What are the key properties of 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one?
1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 288.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63103731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).