(3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C17H21FN2O5 — CID 7691245

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCc2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C17H21FN2O5/c1-4-17(5-2)15(22)20(16(23)19-17)9-14(21)25-10-11-6-7-13(24-3)12(18)8-11/h6-8H,4-5,9-10H2,1-3H3,(H,19,23)
InChIKeySLJQJLDAKVJWCQ-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.99
Rot. Bonds7

About (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

(3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 7691245) has the molecular formula C17H21FN2O5 and a molecular weight of 352.36 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID7691245
Molecular FormulaC17H21FN2O5
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCc2ccc(OC)c(F)c2)C1=O
InChIInChI=1S/C17H21FN2O5/c1-4-17(5-2)15(22)20(16(23)19-17)9-14(21)25-10-11-6-7-13(24-3)12(18)8-11/h6-8H,4-5,9-10H2,1-3H3,(H,19,23)
InChIKeySLJQJLDAKVJWCQ-UHFFFAOYSA-N
XLogP1.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.99
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

(3-fluoro-4-methoxyphenyl)methyl 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906738
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691431
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7546006
(3-fluoro-4-methoxyphenyl)methyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 7796933
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
[4-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxymethyl]phenyl]methyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 42967491
5,5-diethyl-3-[3-(4-fluorophenyl)-2-oxopropyl]imidazolidine-2,4-dione
CID 160817849
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691277
(5-acetyl-2-methoxyphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793463
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094308
(3-fluoro-4-methoxyphenyl)methyl 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7644846

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 7691245) is (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCc2ccc(OC)c(F)c2)C1=O.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is SLJQJLDAKVJWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O5/c1-4-17(5-2)15(22)20(16(23)19-17)9-14(21)25-10-11-6-7-13(24-3)12(18)8-11/h6-8H,4-5,9-10H2,1-3H3,(H,19,23).
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
(3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 352.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 7691245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).