N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide

C15H22N2O2 — CID 78942574

IUPACN-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C15H22N2O2/c1-16(10-13-6-3-2-4-7-13)15(19)11-17-9-5-8-14(17)12-18/h2-4,6-7,14,18H,5,8-12H2,1H3/t14-/m0/s1
InChIKeySZIWYMWVNVDLQK-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.10
Rot. Bonds5

About N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide

N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 78942574) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID78942574
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C15H22N2O2/c1-16(10-13-6-3-2-4-7-13)15(19)11-17-9-5-8-14(17)12-18/h2-4,6-7,14,18H,5,8-12H2,1H3/t14-/m0/s1
InChIKeySZIWYMWVNVDLQK-AWEZNQCLSA-N
XLogP1.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110922021
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-benzyl-2-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447502
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-methylpropanamide
CID 109020436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide (CID 78942574) is N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1CCC[C@H]1CO.
What is the InChIKey of N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is SZIWYMWVNVDLQK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16(10-13-6-3-2-4-7-13)15(19)11-17-9-5-8-14(17)12-18/h2-4,6-7,14,18H,5,8-12H2,1H3/t14-/m0/s1.
What are the key properties of N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide?
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78942574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).