2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone

C16H24N2O2 — CID 72933139

IUPAC2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@]1(C)O
InChIInChI=1S/C16H24N2O2/c1-13-9-18(12-16(13,2)20)15(19)11-17(3)10-14-7-5-4-6-8-14/h4-8,13,20H,9-12H2,1-3H3/t13-,16+/m1/s1
InChIKeyNWSPQJAYDDXUCL-CJNGLKHVSA-N
MW276.38 g/mol
LogP1.35
Rot. Bonds4

About 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone

2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone (PubChem CID 72933139) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone
PubChem CID72933139
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@]1(C)O
InChIInChI=1S/C16H24N2O2/c1-13-9-18(12-16(13,2)20)15(19)11-17(3)10-14-7-5-4-6-8-14/h4-8,13,20H,9-12H2,1-3H3/t13-,16+/m1/s1
InChIKeyNWSPQJAYDDXUCL-CJNGLKHVSA-N
XLogP1.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-benzyl-N-methyl-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 766514
N1-(2-cyclopropyl-2-hydroxypropyl)-N2-(4-fluorobenzyl)oxalamide
CID 52992795
(3R*,4R*)-1-[N-(2-fluorobenzyl)-N-methylglycyl]-3,4-dimethyl-3-pyrrolidinol
CID 72845351
N-benzyl-3-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-N-methylpropanamide
CID 72891812
N-(2-fluorobenzyl)-2-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]acetamide
CID 72901649
(3S*,4S*)-1-(N-benzyl-N-methylglycyl)-4-isopropyl-3-pyrrolidinecarboxylic acid
CID 72929486
1-{[Benzyl(methyl)amino]acetyl}pyrrolidin-2-one
CID 667782
N-benzyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-ethylacetamide
CID 16281132
N-benzyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 91751999
N-isopropyl-N-(3-methylbenzyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 46999197
2-[Benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 47005237
2-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]-N-(2-phenylethyl)acetamide
CID 72922756

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone (CID 72933139) is 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone is C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@]1(C)O.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone?
The InChIKey is NWSPQJAYDDXUCL-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-9-18(12-16(13,2)20)15(19)11-17(3)10-14-7-5-4-6-8-14/h4-8,13,20H,9-12H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone?
2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 72933139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).