ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate

C14H16N2O4 — CID 70099670

IUPACethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O4/c1-2-20-13(18)10-15-9-12(17)16(14(15)19)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyPQJIWYQBBGXAAQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.01
Rot. Bonds5

About ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate

ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate (PubChem CID 70099670) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
PubChem CID70099670
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
SMILESCCOC(=O)CN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O4/c1-2-20-13(18)10-15-9-12(17)16(14(15)19)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyPQJIWYQBBGXAAQ-UHFFFAOYSA-N
XLogP1.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.01
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

2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 70097452
3-benzyl-1-(3,3-dimethyl-2-oxobutyl)imidazolidine-2,4-dione
CID 18725118
3-benzyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 103935477
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-[(4R)-4-(dibenzylamino)-2-oxopiperidin-1-yl]acetate
CID 10762341
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 154108314
3-benzyl-1-[(E)-but-2-enyl]imidazolidine-2,4-dione
CID 142249740
benzyl 1-benzyl-3-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 71768437
ethyl 2-[(4R)-3-benzyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetate
CID 95242706
ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79937200
ethyl 2-(4-benzylsulfonyl-7-oxo-1,4-diazepan-1-yl)acetate
CID 22008726
ethyl 2-(7-oxo-4-phenyl-1,4-diazepan-1-yl)acetate
CID 22008730

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate (CID 70099670) is ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate is CCOC(=O)CN1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate?
The InChIKey is PQJIWYQBBGXAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-20-13(18)10-15-9-12(17)16(14(15)19)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate?
ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate has a molecular weight of 276.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 70099670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).