2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide

C14H20N2O2 — CID 62046547

IUPAC2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C14H20N2O2/c1-11-5-2-3-7-13(11)15-14(18)9-16-8-4-6-12(16)10-17/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyKDTOTWYPPCZGEY-GFCCVEGCSA-N
MW248.33 g/mol
LogP1.39
Rot. Bonds4

About 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 62046547) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID62046547
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCC[C@@H]1CO
InChIInChI=1S/C14H20N2O2/c1-11-5-2-3-7-13(11)15-14(18)9-16-8-4-6-12(16)10-17/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyKDTOTWYPPCZGEY-GFCCVEGCSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
N-(5-chloro-2-methylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734054
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 110880917
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 43180059
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide (CID 62046547) is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCC[C@@H]1CO.
What is the InChIKey of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is KDTOTWYPPCZGEY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-2-3-7-13(11)15-14(18)9-16-8-4-6-12(16)10-17/h2-3,5,7,12,17H,4,6,8-10H2,1H3,(H,15,18)/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide?
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 62046547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).