N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide

C16H24N2O2 — CID 102787693

IUPACN-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
SMILESCC1CCN(CC(=O)N(C)Cc2ccccc2)C1CO
InChIInChI=1S/C16H24N2O2/c1-13-8-9-18(15(13)12-19)11-16(20)17(2)10-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3
InChIKeyGYOQIAIPJHCFLJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.35
Rot. Bonds5

About N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide

N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide (PubChem CID 102787693) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
PubChem CID102787693
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
SMILESCC1CCN(CC(=O)N(C)Cc2ccccc2)C1CO
InChIInChI=1S/C16H24N2O2/c1-13-8-9-18(15(13)12-19)11-16(20)17(2)10-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3
InChIKeyGYOQIAIPJHCFLJ-UHFFFAOYSA-N
XLogP1.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 102788924
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
N-benzyl-2-(2-formylpiperidin-1-yl)-N-methylacetamide
CID 62656234
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
2-[2-(1-aminoethyl)piperidin-1-yl]-N-benzyl-N-methylacetamide
CID 63255807
N-benzyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63873691
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide (CID 102787693) is N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide is CC1CCN(CC(=O)N(C)Cc2ccccc2)C1CO.
What is the InChIKey of N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is GYOQIAIPJHCFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-8-9-18(15(13)12-19)11-16(20)17(2)10-14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3.
What are the key properties of N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide?
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 102787693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).