3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione

C15H21N3O3 — CID 82149162

IUPAC3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(C)NC(=O)N(CCOc2ccc(N)cc2)C1=O
InChIInChI=1S/C15H21N3O3/c1-10(2)15(3)13(19)18(14(20)17-15)8-9-21-12-6-4-11(16)5-7-12/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)
InChIKeySYJQXWKJNGMWLV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.61
Rot. Bonds5

About 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione

3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 82149162) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID82149162
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(C)NC(=O)N(CCOc2ccc(N)cc2)C1=O
InChIInChI=1S/C15H21N3O3/c1-10(2)15(3)13(19)18(14(20)17-15)8-9-21-12-6-4-11(16)5-7-12/h4-7,10H,8-9,16H2,1-3H3,(H,17,20)
InChIKeySYJQXWKJNGMWLV-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755507
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
3-[3-(4-aminophenoxy)propyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94755473
(5R)-3-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389930
3-(3-aminopropyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82147926
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
4-[2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]ethoxy]benzonitrile
CID 46816762
5,5-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976368
5,5-diethyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181009
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
3-[2-(4-chlorophenoxy)ethyl]-5,5-diethylimidazolidine-2,4-dione
CID 7181008
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione (CID 82149162) is 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1(C)NC(=O)N(CCOc2ccc(N)cc2)C1=O.
What is the InChIKey of 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is SYJQXWKJNGMWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)15(3)13(19)18(14(20)17-15)8-9-21-12-6-4-11(16)5-7-12/h4-7,10H,8-9,16H2,1-3H3,(H,17,20).
What are the key properties of 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione?
3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 291.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 82149162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).