(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione

C17H21N3O3 — CID 2704050

IUPAC(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1CCCC1
InChIInChI=1S/C17H21N3O3/c21-15(19-10-4-5-11-19)12-20-16(22)14(18-17(20)23)9-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,23)/t14-/m1/s1
InChIKeySFNZEWYHKBHPQP-CQSZACIVSA-N
MW315.37 g/mol
LogP1.16
Rot. Bonds5

About (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione

(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 2704050) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID2704050
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1CCCC1
InChIInChI=1S/C17H21N3O3/c21-15(19-10-4-5-11-19)12-20-16(22)14(18-17(20)23)9-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,23)/t14-/m1/s1
InChIKeySFNZEWYHKBHPQP-CQSZACIVSA-N
XLogP1.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 2704050) is (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C(CN1C(=O)N[C@H](CCc2ccccc2)C1=O)N1CCCC1.
What is the InChIKey of (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is SFNZEWYHKBHPQP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(19-10-4-5-11-19)12-20-16(22)14(18-17(20)23)9-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,23)/t14-/m1/s1.
What are the key properties of (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2704050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).