[(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate

C19H24N2O5 — CID 11268404

IUPAC[(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC/C=C/CN2C(=O)N(C)C(C)(C)C2=O)cc1
InChIInChI=1S/C19H24N2O5/c1-19(2)17(23)21(18(24)20(19)3)11-5-6-12-26-16(22)13-14-7-9-15(25-4)10-8-14/h5-10H,11-13H2,1-4H3/b6-5+
InChIKeyWYJUYVMOSUMZNT-AATRIKPKSA-N
MW360.41 g/mol
LogP2.01
Rot. Bonds7

About [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate

[(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate (PubChem CID 11268404) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate
PubChem CID11268404
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OC/C=C/CN2C(=O)N(C)C(C)(C)C2=O)cc1
InChIInChI=1S/C19H24N2O5/c1-19(2)17(23)21(18(24)20(19)3)11-5-6-12-26-16(22)13-14-7-9-15(25-4)10-8-14/h5-10H,11-13H2,1-4H3/b6-5+
InChIKeyWYJUYVMOSUMZNT-AATRIKPKSA-N
XLogP2.01
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
CID 101184767
[(E)-3-cyclopropylprop-2-enyl] 2-(4-methoxyphenyl)acetate
CID 11265094
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
4-[(4-methoxyphenyl)methoxy]but-2-enyl butanoate
CID 150190226
3-methylbutyl 2-(4-methoxyphenyl)acetate
CID 15721358
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
4-[2-(4-methoxyphenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074178
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
CID 30339575
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate (CID 11268404) is [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OC/C=C/CN2C(=O)N(C)C(C)(C)C2=O)cc1.
What is the InChIKey of [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is WYJUYVMOSUMZNT-AATRIKPKSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-19(2)17(23)21(18(24)20(19)3)11-5-6-12-26-16(22)13-14-7-9-15(25-4)10-8-14/h5-10H,11-13H2,1-4H3/b6-5+.
What are the key properties of [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate?
[(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 360.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)but-2-enyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 11268404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).