3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C18H22N2O4 — CID 4883627

IUPAC3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C(C)=O)cc1CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C18H22N2O4/c1-4-24-15-8-5-12(11(2)21)9-13(15)10-20-16(22)18(3,14-6-7-14)19-17(20)23/h5,8-9,14H,4,6-7,10H2,1-3H3,(H,19,23)
InChIKeyAIOXMOVBORSNDP-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.51
Rot. Bonds6

About 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 4883627) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID4883627
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C(C)=O)cc1CN1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C18H22N2O4/c1-4-24-15-8-5-12(11(2)21)9-13(15)10-20-16(22)18(3,14-6-7-14)19-17(20)23/h5,8-9,14H,4,6-7,10H2,1-3H3,(H,19,23)
InChIKeyAIOXMOVBORSNDP-UHFFFAOYSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 4883627) is 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is CCOc1ccc(C(C)=O)cc1CN1C(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is AIOXMOVBORSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-24-15-8-5-12(11(2)21)9-13(15)10-20-16(22)18(3,14-6-7-14)19-17(20)23/h5,8-9,14H,4,6-7,10H2,1-3H3,(H,19,23).
What are the key properties of 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4883627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).