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

C16H17N3O6 — CID 24979102

IUPAC(2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccccc2)C1=O
InChIInChI=1S/C16H17N3O6/c1-16(2)14(23)19(15(24)18-16)8-12(21)25-9-11(20)17-13(22)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,24)(H,17,20,22)
InChIKeyGDKDVPCTJLIRBM-UHFFFAOYSA-N
MW347.33 g/mol
LogP-0.18
Rot. Bonds5

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

(2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 24979102) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID24979102
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Name(2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccccc2)C1=O
InChIInChI=1S/C16H17N3O6/c1-16(2)14(23)19(15(24)18-16)8-12(21)25-9-11(20)17-13(22)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,24)(H,17,20,22)
InChIKeyGDKDVPCTJLIRBM-UHFFFAOYSA-N
XLogP-0.18
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 5-0.18
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-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 24979102) is (2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccccc2)C1=O.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is GDKDVPCTJLIRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-16(2)14(23)19(15(24)18-16)8-12(21)25-9-11(20)17-13(22)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,18,24)(H,17,20,22).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
(2-benzamido-2-oxoethyl) 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 347.33 g/mol, XLogP of -0.18, 5 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-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 24979102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).