(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione

C15H18N2O3 — CID 102306788

IUPAC(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCCC(=O)N1C(=O)N(c2ccccc2)C(=O)[C@@H]1C(C)C
InChIInChI=1S/C15H18N2O3/c1-4-12(18)17-13(10(2)3)14(19)16(15(17)20)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3/t13-/m0/s1
InChIKeyFEVVZEJAMIZGEC-ZDUSSCGKSA-N
MW274.32 g/mol
LogP2.42
Rot. Bonds3

About (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 102306788) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID102306788
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCCC(=O)N1C(=O)N(c2ccccc2)C(=O)[C@@H]1C(C)C
InChIInChI=1S/C15H18N2O3/c1-4-12(18)17-13(10(2)3)14(19)16(15(17)20)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3/t13-/m0/s1
InChIKeyFEVVZEJAMIZGEC-ZDUSSCGKSA-N
XLogP2.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-phenyl-1-(3-phenylpropanoyl)-5-propan-2-ylimidazolidine-2,4-dione
CID 102382980
(5S)-1-[(2R,3S)-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoyl]-3-phenyl-5-propan-2-ylimidazolidine-2,4-dione
CID 102306783
3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 101436550
2-[(4S)-2,5-dioxo-1-phenyl-3-propan-2-ylimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 7340927
(4R)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854117
5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 67915372
(4R,5R)-1-methyl-4,5-diphenyl-3-propanoylimidazolidin-2-one
CID 14905101
2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 51469362
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 13968
(5S)-1,3,5-triphenylimidazolidine-2,4-dione
CID 154708380
2-(2,4-dioxo-3,5-diphenylimidazolidin-1-yl)acetic acid
CID 19087968

Frequently Asked Questions

What is the IUPAC name of (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione (CID 102306788) is (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione is CCC(=O)N1C(=O)N(c2ccccc2)C(=O)[C@@H]1C(C)C.
What is the InChIKey of (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is FEVVZEJAMIZGEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-12(18)17-13(10(2)3)14(19)16(15(17)20)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102306788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).