(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione

C20H23N3O3 — CID 8576335

IUPAC(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O
InChIInChI=1S/C20H23N3O3/c1-20(16-7-8-16)18(25)23(19(26)21-20)13-17(24)22-11-9-15(10-12-22)14-5-3-2-4-6-14/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,26)/t20-/m1/s1
InChIKeyNCYHREQKCJESNY-HXUWFJFHSA-N
MW353.42 g/mol
LogP2.02
Rot. Bonds4

About (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione

(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 8576335) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID8576335
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O
InChIInChI=1S/C20H23N3O3/c1-20(16-7-8-16)18(25)23(19(26)21-20)13-17(24)22-11-9-15(10-12-22)14-5-3-2-4-6-14/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,26)/t20-/m1/s1
InChIKeyNCYHREQKCJESNY-HXUWFJFHSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.02
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)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione (CID 8576335) is (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione is C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O.
What is the InChIKey of (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is NCYHREQKCJESNY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(16-7-8-16)18(25)23(19(26)21-20)13-17(24)22-11-9-15(10-12-22)14-5-3-2-4-6-14/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,26)/t20-/m1/s1.
What are the key properties of (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione?
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 8576335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).