tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C17H22N2O5 — CID 42898029

IUPACtert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1
InChIInChI=1S/C17H22N2O5/c1-16(2,3)24-13(20)10-19-14(21)17(4,18-15(19)22)11-6-8-12(23-5)9-7-11/h6-9H,10H2,1-5H3,(H,18,22)
InChIKeyJVUNVJYPDYIPPN-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.80
Rot. Bonds4

About tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 42898029) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID42898029
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nametert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(C2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1
InChIInChI=1S/C17H22N2O5/c1-16(2,3)24-13(20)10-19-14(21)17(4,18-15(19)22)11-6-8-12(23-5)9-7-11/h6-9H,10H2,1-5H3,(H,18,22)
InChIKeyJVUNVJYPDYIPPN-UHFFFAOYSA-N
XLogP1.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.80
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

(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 31504133
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119608759
(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55779436
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4264243
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40881936
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786580
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride
CID 119656734
(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119943115

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 42898029) is tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is COc1ccc(C2(C)NC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1.
What is the InChIKey of tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is JVUNVJYPDYIPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-16(2,3)24-13(20)10-19-14(21)17(4,18-15(19)22)11-6-8-12(23-5)9-7-11/h6-9H,10H2,1-5H3,(H,18,22).
What are the key properties of tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 334.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 42898029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).