2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate

C17H20N2O5 — CID 71942506

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCC1(C)NC(=O)N(CCOC(=O)Cc2ccc3c(c2)CCO3)C1=O
InChIInChI=1S/C17H20N2O5/c1-17(2)15(21)19(16(22)18-17)6-8-24-14(20)10-11-3-4-13-12(9-11)5-7-23-13/h3-4,9H,5-8,10H2,1-2H3,(H,18,22)
InChIKeyKLEPTONCFNXTQM-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.04
Rot. Bonds5

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate (PubChem CID 71942506) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate
PubChem CID71942506
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESCC1(C)NC(=O)N(CCOC(=O)Cc2ccc3c(c2)CCO3)C1=O
InChIInChI=1S/C17H20N2O5/c1-17(2)15(21)19(16(22)18-17)6-8-24-14(20)10-11-3-4-13-12(9-11)5-7-23-13/h3-4,9H,5-8,10H2,1-2H3,(H,18,22)
InChIKeyKLEPTONCFNXTQM-UHFFFAOYSA-N
XLogP1.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 51592387
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 35463399
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
CID 65442473
3-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17438700
[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 143438083
2-(2,5-dioxoimidazolidin-1-yl)ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 71897620
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
5-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
CID 59235057
3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 33406346
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570041
[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 35477519

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate (CID 71942506) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate is CC1(C)NC(=O)N(CCOC(=O)Cc2ccc3c(c2)CCO3)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The InChIKey is KLEPTONCFNXTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-17(2)15(21)19(16(22)18-17)6-8-24-14(20)10-11-3-4-13-12(9-11)5-7-23-13/h3-4,9H,5-8,10H2,1-2H3,(H,18,22).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate has a molecular weight of 332.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2,3-dihydro-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 71942506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).