3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione

C15H21N3O3 — CID 43212276

IUPAC3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(C(N)CN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C15H21N3O3/c1-10(2)21-12-6-4-11(5-7-12)13(16)8-18-14(19)9-17(3)15(18)20/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyQQBHVRUYDRRIJZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.37
Rot. Bonds5

About 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione

3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43212276) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
PubChem CID43212276
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(C(N)CN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C15H21N3O3/c1-10(2)21-12-6-4-11(5-7-12)13(16)8-18-14(19)9-17(3)15(18)20/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyQQBHVRUYDRRIJZ-UHFFFAOYSA-N
XLogP1.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212257
3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212260
3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212262
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212246
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62492213
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16786819
1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164252
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237914

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione (CID 43212276) is 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione is CC(C)Oc1ccc(C(N)CN2C(=O)CN(C)C2=O)cc1.
What is the InChIKey of 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is QQBHVRUYDRRIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)21-12-6-4-11(5-7-12)13(16)8-18-14(19)9-17(3)15(18)20/h4-7,10,13H,8-9,16H2,1-3H3.
What are the key properties of 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 291.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43212276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).