methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate

C20H25N3O7 — CID 7691145

IUPACmethyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(C(=O)OC)ccc2C)C1=O
InChIInChI=1S/C20H25N3O7/c1-5-20(6-2)18(27)23(19(28)22-20)10-16(25)30-11-15(24)21-14-9-13(17(26)29-4)8-7-12(14)3/h7-9H,5-6,10-11H2,1-4H3,(H,21,24)(H,22,28)
InChIKeyAFIDPQUSYVXFBM-UHFFFAOYSA-N
MW419.43 g/mol
LogP1.37
Rot. Bonds8

About methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate

methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate (PubChem CID 7691145) has the molecular formula C20H25N3O7 and a molecular weight of 419.43 g/mol. Its IUPAC name is methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
PubChem CID7691145
Molecular FormulaC20H25N3O7
Molecular Weight419.43 g/mol
Exact Mass419.17
IUPAC Namemethyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(C(=O)OC)ccc2C)C1=O
InChIInChI=1S/C20H25N3O7/c1-5-20(6-2)18(27)23(19(28)22-20)10-16(25)30-11-15(24)21-14-9-13(17(26)29-4)8-7-12(14)3/h7-9H,5-6,10-11H2,1-4H3,(H,21,24)(H,22,28)
InChIKeyAFIDPQUSYVXFBM-UHFFFAOYSA-N
XLogP1.37
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2338322
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487129
methyl 3-[[2-[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 7906677
(2-anilino-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2557134
[2-(2-acetylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487061
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691431
methyl 3-[[2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-methylbenzoate
CID 16550511
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691427
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487167
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487182
methyl 3-[[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylbenzoate
CID 46640931
methyl 4-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7822094

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate (CID 7691145) is methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(C(=O)OC)ccc2C)C1=O.
What is the InChIKey of methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate?
The InChIKey is AFIDPQUSYVXFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7/c1-5-20(6-2)18(27)23(19(28)22-20)10-16(25)30-11-15(24)21-14-9-13(17(26)29-4)8-7-12(14)3/h7-9H,5-6,10-11H2,1-4H3,(H,21,24)(H,22,28).
What are the key properties of methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate?
methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate has a molecular weight of 419.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 7691145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).