2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide

C14H20N2O2 — CID 103728385

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C)(O)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-11-3-5-12(6-4-11)15-13(17)9-16-8-7-14(2,18)10-16/h3-6,18H,7-10H2,1-2H3,(H,15,17)
InChIKeyRABODYXKWBZUND-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.39
Rot. Bonds3

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 103728385) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID103728385
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCC(C)(O)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-11-3-5-12(6-4-11)15-13(17)9-16-8-7-14(2,18)10-16/h3-6,18H,7-10H2,1-2H3,(H,15,17)
InChIKeyRABODYXKWBZUND-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728541
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
N-(3,4-dimethylphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80701697
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 103728804
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728546
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 113249885
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 103358021

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide (CID 103728385) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCC(C)(O)C2)cc1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is RABODYXKWBZUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-3-5-12(6-4-11)15-13(17)9-16-8-7-14(2,18)10-16/h3-6,18H,7-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 103728385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).