[4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate

C16H22N2O4 — CID 166237244

IUPAC[4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate
SMILESCCN1C(=O)C(C)(C)NC1c1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C16H22N2O4/c1-6-18-14(17-16(3,4)15(18)20)11-7-8-12(22-10(2)19)13(9-11)21-5/h7-9,14,17H,6H2,1-5H3
InChIKeyZCRFINBDZUJHFZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.85
Rot. Bonds4

About [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate

[4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate (PubChem CID 166237244) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate
PubChem CID166237244
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate
SMILESCCN1C(=O)C(C)(C)NC1c1ccc(OC(C)=O)c(OC)c1
InChIInChI=1S/C16H22N2O4/c1-6-18-14(17-16(3,4)15(18)20)11-7-8-12(22-10(2)19)13(9-11)21-5/h7-9,14,17H,6H2,1-5H3
InChIKeyZCRFINBDZUJHFZ-UHFFFAOYSA-N
XLogP1.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
CID 171197397
[4-[(1R,3aR,4S,6aS)-4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 9498525
[4-[4-(4-acetyloxy-3-methoxyphenyl)-3,6-dioxo-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl] acetate
CID 5064558
[2-methoxy-4-[(4R)-2-oxoimidazolidin-4-yl]phenyl] acetate
CID 171252600
[4-[(1R,2S,3S)-6-acetyloxy-3-ethyl-5-methoxy-2-methyl-2,3-dihydro-1H-inden-1-yl]-2-methoxyphenyl] acetate
CID 99947252
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171194561
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
[4-(6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-2-methoxyphenyl] acetate
CID 17239852
[4-(2-hydroxypropanoyl)-2-methoxyphenyl] acetate
CID 54123308
ethyl (4S)-4-(4-acetyloxy-3-methoxyphenyl)-2-acetylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate
CID 1036963
[2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)phenyl] acetate
CID 154372128

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate?
The IUPAC name of [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate (CID 166237244) is [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate?
The canonical SMILES for [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate is CCN1C(=O)C(C)(C)NC1c1ccc(OC(C)=O)c(OC)c1.
What is the InChIKey of [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate?
The InChIKey is ZCRFINBDZUJHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-6-18-14(17-16(3,4)15(18)20)11-7-8-12(22-10(2)19)13(9-11)21-5/h7-9,14,17H,6H2,1-5H3.
What are the key properties of [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate?
[4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate has a molecular weight of 306.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethyl-4,4-dimethyl-5-oxoimidazolidin-2-yl)-2-methoxyphenyl] acetate is sourced from PubChem (CID 166237244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).