2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide

C14H20N2O2 — CID 78942501

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCC[C@H]1CO)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15(12-6-3-2-4-7-12)14(18)10-16-9-5-8-13(16)11-17/h2-4,6-7,13,17H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyAGAJULBKVAZWAG-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds4

About 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 78942501) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID78942501
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCC[C@H]1CO)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15(12-6-3-2-4-7-12)14(18)10-16-9-5-8-13(16)11-17/h2-4,6-7,13,17H,5,8-11H2,1H3/t13-/m0/s1
InChIKeyAGAJULBKVAZWAG-ZDUSSCGKSA-N
XLogP1.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209
3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072416
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 102788924
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419
2-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylacetamide
CID 116637269
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119926165
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110922021

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide (CID 78942501) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCC[C@H]1CO)c1ccccc1.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is AGAJULBKVAZWAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(12-6-3-2-4-7-12)14(18)10-16-9-5-8-13(16)11-17/h2-4,6-7,13,17H,5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 78942501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).