(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione

C17H24N3O3+ — CID 7479984

IUPAC(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(C[NH+]2CCOCC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-17(8-7-14-5-3-2-4-6-14)15(21)20(16(22)18-17)13-19-9-11-23-12-10-19/h2-6H,7-13H2,1H3,(H,18,22)/p+1/t17-/m0/s1
InChIKeyJGFFIRYLYJYZEF-KRWDZBQOSA-O
MW318.40 g/mol
LogP-0.20
Rot. Bonds5

About (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 7479984) has the molecular formula C17H24N3O3+ and a molecular weight of 318.40 g/mol. Its IUPAC name is (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID7479984
Molecular FormulaC17H24N3O3+
Molecular Weight318.40 g/mol
Exact Mass318.18
IUPAC Name(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(C[NH+]2CCOCC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-17(8-7-14-5-3-2-4-6-14)15(21)20(16(22)18-17)13-19-9-11-23-12-10-19/h2-6H,7-13H2,1H3,(H,18,22)/p+1/t17-/m0/s1
InChIKeyJGFFIRYLYJYZEF-KRWDZBQOSA-O
XLogP-0.20
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-5-(2-phenylethyl)-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]imidazolidine-2,4-dione
CID 7911306
5,5-dibenzyl-3-(morpholin-4-ium-4-ylmethyl)imidazolidine-2,4-dione
CID 2672005
(5S)-5-methyl-3-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 40803564
(5S)-3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7911332
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
5-methyl-3-[2-(oxolan-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 86806014
(5R)-5-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 99827374
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
benzyl-[[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9169331

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 7479984) is (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione is C[C@@]1(CCc2ccccc2)NC(=O)N(C[NH+]2CCOCC2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is JGFFIRYLYJYZEF-KRWDZBQOSA-O. The full InChI is InChI=1S/C17H23N3O3/c1-17(8-7-14-5-3-2-4-6-14)15(21)20(16(22)18-17)13-19-9-11-23-12-10-19/h2-6H,7-13H2,1H3,(H,18,22)/p+1/t17-/m0/s1.
What are the key properties of (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 318.40 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7479984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).