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

C17H27N3O — CID 125219088

IUPAC2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC[C@@H](N(C)C)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-18(2)15-10-11-20(13-17(21)19(3)4)16(15)12-14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyWGMBYJXYJFCUST-HZPDHXFCSA-N
MW289.42 g/mol
LogP1.32
Rot. Bonds5

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

2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide (PubChem CID 125219088) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide
PubChem CID125219088
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC[C@@H](N(C)C)[C@H]1Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-18(2)15-10-11-20(13-17(21)19(3)4)16(15)12-14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyWGMBYJXYJFCUST-HZPDHXFCSA-N
XLogP1.32
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide
CID 124811052
(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-(pyridin-4-ylmethyl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155827113
1-[(2S,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one;2,2,2-trifluoroacetic acid
CID 155861724
(2S,3R)-1-(furan-2-ylmethyl)-N,N-dimethyl-2-(pyridin-4-ylmethyl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155863250
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
1-[2-(dimethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786056
benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 166903939
[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97470905
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081
(2S,3R)-N,N-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 97369130
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119926165

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide (CID 125219088) is 2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC[C@@H](N(C)C)[C@H]1Cc1ccccc1.
What is the InChIKey of 2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is WGMBYJXYJFCUST-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18(2)15-10-11-20(13-17(21)19(3)4)16(15)12-14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide?
2-[(2R,3R)-2-benzyl-3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.32, 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-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 125219088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).