3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one

C15H22N2O3 — CID 106256675

IUPAC3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(C)cc1C(O)CNC1CCN(C)C1=O
InChIInChI=1S/C15H22N2O3/c1-10-4-5-14(20-3)11(8-10)13(18)9-16-12-6-7-17(2)15(12)19/h4-5,8,12-13,16,18H,6-7,9H2,1-3H3
InChIKeyVMIAZNBBYYNXSV-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.86
Rot. Bonds5

About 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one

3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106256675) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
PubChem CID106256675
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(C)cc1C(O)CNC1CCN(C)C1=O
InChIInChI=1S/C15H22N2O3/c1-10-4-5-14(20-3)11(8-10)13(18)9-16-12-6-7-17(2)15(12)19/h4-5,8,12-13,16,18H,6-7,9H2,1-3H3
InChIKeyVMIAZNBBYYNXSV-UHFFFAOYSA-N
XLogP0.86
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-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

2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310
1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
1-(2-methoxy-5-methylphenyl)-2-[(4-methylpiperazin-1-yl)amino]ethanol
CID 83021665
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
1-(2-methoxy-5-methylphenyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethanol
CID 80719513
1-(2-methoxy-5-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanol
CID 62545228
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81397497
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one (CID 106256675) is 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one is COc1ccc(C)cc1C(O)CNC1CCN(C)C1=O.
What is the InChIKey of 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is VMIAZNBBYYNXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-5-14(20-3)11(8-10)13(18)9-16-12-6-7-17(2)15(12)19/h4-5,8,12-13,16,18H,6-7,9H2,1-3H3.
What are the key properties of 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106256675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).