(2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C18H21N3O6 — CID 2566738

IUPAC(2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H21N3O6/c1-3-18(4-2)16(25)21(17(26)20-18)10-14(23)27-11-13(22)19-15(24)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,20,26)(H,19,22,24)
InChIKeyLFQSFSISCGFCPR-UHFFFAOYSA-N
MW375.38 g/mol
LogP0.60
Rot. Bonds7

About (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

(2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2566738) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2566738
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name(2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H21N3O6/c1-3-18(4-2)16(25)21(17(26)20-18)10-14(23)27-11-13(22)19-15(24)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,20,26)(H,19,22,24)
InChIKeyLFQSFSISCGFCPR-UHFFFAOYSA-N
XLogP0.60
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2566738) is (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccccc2)C1=O.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is LFQSFSISCGFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-3-18(4-2)16(25)21(17(26)20-18)10-14(23)27-11-13(22)19-15(24)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,20,26)(H,19,22,24).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
(2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 375.38 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2566738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).