(3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one

C19H28N2O3 — CID 99838086

IUPAC(3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one
SMILESCN(CCO[C@@H]1CCCCO1)[C@@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H28N2O3/c1-20(12-14-24-18-9-5-6-13-23-18)17-10-11-21(19(17)22)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/t17-,18-/m1/s1
InChIKeyAATQJBJBPWWMCZ-QZTJIDSGSA-N
MW332.44 g/mol
LogP2.26
Rot. Bonds7

About (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one

(3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one (PubChem CID 99838086) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one
PubChem CID99838086
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one
SMILESCN(CCO[C@@H]1CCCCO1)[C@@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H28N2O3/c1-20(12-14-24-18-9-5-6-13-23-18)17-10-11-21(19(17)22)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/t17-,18-/m1/s1
InChIKeyAATQJBJBPWWMCZ-QZTJIDSGSA-N
XLogP2.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

(3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one
CID 124830325
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
1-benzyl-4-(3,4-dichlorophenyl)-3-methyl-4-[2-(oxan-2-yloxy)ethyl]imidazolidin-2-one
CID 21200634
1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one
CID 166349170
(8R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 100668970
(3S)-1-benzyl-3-methyl-3-[2-(oxan-2-yloxy)ethoxymethyl]piperidine;[(3S)-1-benzyl-3-methylpiperidin-3-yl]methanol
CID 161228896
benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
CID 58495700
(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol
CID 59508792
2-(2-phenoxyethoxy)oxane
CID 11736193
1-benzyl-5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]piperidin-2-one
CID 19692506
tert-butyl 4-benzyl-3-oxomorpholine-2-carboxylate
CID 15649498

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one (CID 99838086) is (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one is CN(CCO[C@@H]1CCCCO1)[C@@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one?
The InChIKey is AATQJBJBPWWMCZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20(12-14-24-18-9-5-6-13-23-18)17-10-11-21(19(17)22)15-16-7-3-2-4-8-16/h2-4,7-8,17-18H,5-6,9-15H2,1H3/t17-,18-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one?
(3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one has a molecular weight of 332.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 99838086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).