1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one

C17H26N2O — CID 104511502

IUPAC1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCNC(CN1CC(C(C)C)CC1=O)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)15-9-17(20)19(10-15)11-16(18-4)14-7-5-13(3)6-8-14/h5-8,12,15-16,18H,9-11H2,1-4H3
InChIKeyAHNMNAHXCXFRMO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one

1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511502) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511502
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCNC(CN1CC(C(C)C)CC1=O)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-12(2)15-9-17(20)19(10-15)11-16(18-4)14-7-5-13(3)6-8-14/h5-8,12,15-16,18H,9-11H2,1-4H3
InChIKeyAHNMNAHXCXFRMO-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511467
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511458
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734
4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one
CID 82175909
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-[2-(ethylamino)-2-(4-propan-2-ylphenyl)ethyl]-4-methylpyrrolidin-2-one
CID 63103731
1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511611
1-[(4-chlorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 23588935
2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511158

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one (CID 104511502) is 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one is CNC(CN1CC(C(C)C)CC1=O)c1ccc(C)cc1.
What is the InChIKey of 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is AHNMNAHXCXFRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)15-9-17(20)19(10-15)11-16(18-4)14-7-5-13(3)6-8-14/h5-8,12,15-16,18H,9-11H2,1-4H3.
What are the key properties of 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one?
1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 274.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).