ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate

C14H16N2O4 — CID 6458942

IUPACethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O4/c1-3-20-13(18)10(2)15-9-12(17)16(14(15)19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyBQANHNNHSZTIJW-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.41
Rot. Bonds4

About ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate

ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate (PubChem CID 6458942) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate
PubChem CID6458942
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O4/c1-3-20-13(18)10(2)15-9-12(17)16(14(15)19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKeyBQANHNNHSZTIJW-UHFFFAOYSA-N
XLogP1.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl (4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl)acetate
CID 888423
1-Acetyl-3-phenylimidazolidine-2,4-dione
CID 890978
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
2-Oxo-2-[phenyl(2-propanyl)amino](2S)-2-(carbamoylamino)propanoate
CID 2122397
2-(2-Diethylcarbamoylmethyl-3,5-dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-N,N-diethyl-acetamide
CID 551781
1-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-
CID 73139
Uracil, 1,6-dimethyl-3-phenyl-5-(1-pyrrolidinyl)-
CID 208436
Uracil, 1,6-dimethyl-5-morpholino-3-phenyl-
CID 208437
Ethyl [3-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetate
CID 2228401
1-Methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-one
CID 944346
methyl N-(methoxyacetyl)-N-phenylalaninate
CID 4001854
N-ethyl-2-[3-(2-methoxyethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 6622704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate (CID 6458942) is ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate is CCOC(=O)C(C)N1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate?
The InChIKey is BQANHNNHSZTIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-20-13(18)10(2)15-9-12(17)16(14(15)19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate?
ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate has a molecular weight of 276.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dioxo-3-phenylimidazolidin-1-yl)propanoate is sourced from PubChem (CID 6458942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).