2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide

C19H27N3O2 — CID 133130441

IUPAC2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide
SMILESCNC(=O)CN1C[C@@H](NC(=O)CC2CCC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-20-19(24)13-22-11-16(15-8-3-2-4-9-15)17(12-22)21-18(23)10-14-6-5-7-14/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1
InChIKeyMOSOMYUFMREDAT-DLBZAZTESA-N
MW329.44 g/mol
LogP1.51
Rot. Bonds6

About 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide

2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide (PubChem CID 133130441) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide
PubChem CID133130441
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide
SMILESCNC(=O)CN1C[C@@H](NC(=O)CC2CCC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H27N3O2/c1-20-19(24)13-22-11-16(15-8-3-2-4-9-15)17(12-22)21-18(23)10-14-6-5-7-14/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1
InChIKeyMOSOMYUFMREDAT-DLBZAZTESA-N
XLogP1.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
2-(cyclopropylmethylamino)-N-(2-phenylcyclopentyl)acetamide
CID 119783077
N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide
CID 171142033
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-2-chloropropanamide
CID 146098682
2-cyclobutyl-N-methylacetamide
CID 57296172
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclooctylacetamide;hydrochloride
CID 120761330
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 120761771
N-[(3R,4S)-1-(3-hydroxypropyl)-4-phenylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 72839648
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 120759684
methyl-[[3-(methylcarbamoyl)-4-phenylpyrrolidin-1-yl]methyl]-methylidenephosphanium
CID 90732516
(3S,4R)-1-benzyl-N-methyl-4-phenylpyrrolidin-3-amine
CID 59840122

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide (CID 133130441) is 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide is CNC(=O)CN1C[C@@H](NC(=O)CC2CCC2)[C@H](c2ccccc2)C1.
What is the InChIKey of 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is MOSOMYUFMREDAT-DLBZAZTESA-N. The full InChI is InChI=1S/C19H27N3O2/c1-20-19(24)13-22-11-16(15-8-3-2-4-9-15)17(12-22)21-18(23)10-14-6-5-7-14/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,20,24)(H,21,23)/t16-,17+/m0/s1.
What are the key properties of 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide?
2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133130441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).