2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide

C16H24N2O2 — CID 124811052

IUPAC2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCO[C@@H]1CCN(CC(=O)N(C)C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17(2)16(19)12-18-10-9-15(20-3)14(18)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyWTYHVSUIVJPQDI-HUUCEWRRSA-N
MW276.38 g/mol
LogP1.41
Rot. Bonds5

About 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide

2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide (PubChem CID 124811052) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide
PubChem CID124811052
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCO[C@@H]1CCN(CC(=O)N(C)C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17(2)16(19)12-18-10-9-15(20-3)14(18)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m1/s1
InChIKeyWTYHVSUIVJPQDI-HUUCEWRRSA-N
XLogP1.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 125219088
4-[[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124789164
(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine
CID 97391960
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 102788924
N-benzyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methylacetamide
CID 102787693
[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133140606
[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470128
(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-N,N-dimethylpyrrolidine-1-carboxamide
CID 97384217
2-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155849479
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470449
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
CID 124792317
(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-1-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid
CID 155847273

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide (CID 124811052) is 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide is CO[C@@H]1CCN(CC(=O)N(C)C)[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is WTYHVSUIVJPQDI-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)16(19)12-18-10-9-15(20-3)14(18)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide?
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 124811052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).