3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C15H21N3O3 — CID 43259747

IUPAC3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(N)cc1CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C15H21N3O3/c1-4-15(3)13(19)18(14(20)17-15)9-10-8-11(16)6-7-12(10)21-5-2/h6-8H,4-5,9,16H2,1-3H3,(H,17,20)
InChIKeyCULNRUCFILPIEZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.89
Rot. Bonds5

About 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione

3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 43259747) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID43259747
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(N)cc1CN1C(=O)NC(C)(CC)C1=O
InChIInChI=1S/C15H21N3O3/c1-4-15(3)13(19)18(14(20)17-15)9-10-8-11(16)6-7-12(10)21-5-2/h6-8H,4-5,9,16H2,1-3H3,(H,17,20)
InChIKeyCULNRUCFILPIEZ-UHFFFAOYSA-N
XLogP1.89
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 43259747) is 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CCOc1ccc(N)cc1CN1C(=O)NC(C)(CC)C1=O.
What is the InChIKey of 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is CULNRUCFILPIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-15(3)13(19)18(14(20)17-15)9-10-8-11(16)6-7-12(10)21-5-2/h6-8H,4-5,9,16H2,1-3H3,(H,17,20).
What are the key properties of 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 291.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-ethoxyphenyl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43259747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).