3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide

C14H17N3O3 — CID 47117412

IUPAC3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
SMILESNC(=O)CCN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C14H17N3O3/c15-12(18)8-9-17-13(19)11(16-14(17)20)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,18)(H,16,20)
InChIKeyZBSLKKDFYWDXSA-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.41
Rot. Bonds6

About 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide

3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide (PubChem CID 47117412) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
PubChem CID47117412
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
SMILESNC(=O)CCN1C(=O)NC(CCc2ccccc2)C1=O
InChIInChI=1S/C14H17N3O3/c15-12(18)8-9-17-13(19)11(16-14(17)20)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,18)(H,16,20)
InChIKeyZBSLKKDFYWDXSA-UHFFFAOYSA-N
XLogP0.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.41
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

3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxypropanamide
CID 87094358
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 75865261
(5R)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2704050
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 25362720
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
N-(2-chlorophenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703995
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide?
The IUPAC name of 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide (CID 47117412) is 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide.
What is the SMILES notation for 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide?
The canonical SMILES for 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide is NC(=O)CCN1C(=O)NC(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide?
The InChIKey is ZBSLKKDFYWDXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-12(18)8-9-17-13(19)11(16-14(17)20)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,18)(H,16,20).
What are the key properties of 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide?
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide is sourced from PubChem (CID 47117412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).