(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione

C20H27N3O3 — CID 41143774

IUPAC(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)N3CCCC3)C2=O)cc1
InChIInChI=1S/C20H27N3O3/c1-4-7-15-8-10-16(11-9-15)20(3)18(25)23(19(26)21-20)14(2)17(24)22-12-5-6-13-22/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,26)/t14-,20+/m0/s1
InChIKeyNGEUIQYZHPLFHK-VBKZILBWSA-N
MW357.45 g/mol
LogP2.42
Rot. Bonds5

About (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione

(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione (PubChem CID 41143774) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione
PubChem CID41143774
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)N3CCCC3)C2=O)cc1
InChIInChI=1S/C20H27N3O3/c1-4-7-15-8-10-16(11-9-15)20(3)18(25)23(19(26)21-20)14(2)17(24)22-12-5-6-13-22/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,26)/t14-,20+/m0/s1
InChIKeyNGEUIQYZHPLFHK-VBKZILBWSA-N
XLogP2.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
(5S)-5-(3-bromophenyl)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]imidazolidine-2,4-dione
CID 7916791
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 41190610
3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
5-methyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 18285720
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 43029188
(5R)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802517
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
N-[(1S,2S)-2-methylcyclohexyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 11924760
N-(2-ethylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 78800724
N-(4-acetamidophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 45356013

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione (CID 41143774) is (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione is CCCc1ccc([C@@]2(C)NC(=O)N([C@@H](C)C(=O)N3CCCC3)C2=O)cc1.
What is the InChIKey of (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione?
The InChIKey is NGEUIQYZHPLFHK-VBKZILBWSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-7-15-8-10-16(11-9-15)20(3)18(25)23(19(26)21-20)14(2)17(24)22-12-5-6-13-22/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,26)/t14-,20+/m0/s1.
What are the key properties of (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione?
(5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-5-(4-propylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 41143774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).