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

C17H26N2O — CID 63104056

IUPAC1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
SMILESCCNC(CN1CC(C)CC1=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O/c1-5-18-16(11-19-10-12(2)8-17(19)20)15-7-6-13(3)14(4)9-15/h6-7,9,12,16,18H,5,8,10-11H2,1-4H3
InChIKeyRPYKXHCIZXBYLR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.82
Rot. Bonds5

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

1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one (PubChem CID 63104056) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
PubChem CID63104056
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one
SMILESCCNC(CN1CC(C)CC1=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O/c1-5-18-16(11-19-10-12(2)8-17(19)20)15-7-6-13(3)14(4)9-15/h6-7,9,12,16,18H,5,8,10-11H2,1-4H3
InChIKeyRPYKXHCIZXBYLR-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one (CID 63104056) is 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one is CCNC(CN1CC(C)CC1=O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is RPYKXHCIZXBYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-18-16(11-19-10-12(2)8-17(19)20)15-7-6-13(3)14(4)9-15/h6-7,9,12,16,18H,5,8,10-11H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one?
1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63104056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).