(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one

C20H28N2O2 — CID 97013354

IUPAC(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H28N2O2/c1-15(2)18-9-6-11-22(18)20(24)17-13-19(23)21(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3/t17-,18+/m1/s1
InChIKeyNTFUSDPIMACPLF-MSOLQXFVSA-N
MW328.46 g/mol
LogP2.72
Rot. Bonds5

About (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97013354) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97013354
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H28N2O2/c1-15(2)18-9-6-11-22(18)20(24)17-13-19(23)21(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3/t17-,18+/m1/s1
InChIKeyNTFUSDPIMACPLF-MSOLQXFVSA-N
XLogP2.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-(2-phenylethyl)-4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013355
1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 162990301
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
(4S)-1-[2-(4-fluorophenyl)ethyl]-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9374038
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
cyclopentyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 71904507
(4R)-4-[4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 51565884
(4R)-4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 39911499
(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
4-[4-(2-methylphenyl)piperazine-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 53181871
4-(4-benzylpiperidine-1-carbonyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 15996954

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 97013354) is (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one is CC(C)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NTFUSDPIMACPLF-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(2)18-9-6-11-22(18)20(24)17-13-19(23)21(14-17)12-10-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 328.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97013354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).