N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide

C17H24N2O2 — CID 125168045

IUPACN-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide
SMILESCN(C[C@H]1CCN(C)C1(C)C)C(=O)C(=O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-17(2)14(10-11-19(17)4)12-18(3)16(21)15(20)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-/m1/s1
InChIKeyPVCXVCITKDQQCE-CQSZACIVSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide

N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 125168045) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide
PubChem CID125168045
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide
SMILESCN(C[C@H]1CCN(C)C1(C)C)C(=O)C(=O)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-17(2)14(10-11-19(17)4)12-18(3)16(21)15(20)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-/m1/s1
InChIKeyPVCXVCITKDQQCE-CQSZACIVSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide (CID 125168045) is N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide is CN(C[C@H]1CCN(C)C1(C)C)C(=O)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is PVCXVCITKDQQCE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2)14(10-11-19(17)4)12-18(3)16(21)15(20)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/t14-/m1/s1.
What are the key properties of N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide?
N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-2-phenyl-N-[[(3R)-1,2,2-trimethylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 125168045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).