[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C20H25N3O6 — CID 7209821

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C20H25N3O6/c1-19(2,3)13-8-6-12(7-9-13)16(26)21-14(24)11-29-15(25)10-23-17(27)20(4,5)22-18(23)28/h6-9H,10-11H2,1-5H3,(H,22,28)(H,21,24,26)
InChIKeyDXIWQZBSAPHLBZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.11
Rot. Bonds5

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7209821) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7209821
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCC1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C20H25N3O6/c1-19(2,3)13-8-6-12(7-9-13)16(26)21-14(24)11-29-15(25)10-23-17(27)20(4,5)22-18(23)28/h6-9H,10-11H2,1-5H3,(H,22,28)(H,21,24,26)
InChIKeyDXIWQZBSAPHLBZ-UHFFFAOYSA-N
XLogP1.11
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793696
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209579
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209846
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209845
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617508
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209917
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 40633110
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7993697
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7993678
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209656

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7209821) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is CC1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is DXIWQZBSAPHLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-19(2,3)13-8-6-12(7-9-13)16(26)21-14(24)11-29-15(25)10-23-17(27)20(4,5)22-18(23)28/h6-9H,10-11H2,1-5H3,(H,22,28)(H,21,24,26).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 403.44 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7209821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).