3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione

C14H19N3O3 — CID 43365746

IUPAC3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCOc2ccccc2N)C1=O
InChIInChI=1S/C14H19N3O3/c1-14(2)12(18)17(13(19)16-14)8-5-9-20-11-7-4-3-6-10(11)15/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,16,19)
InChIKeyLQDFZHXXXJWMOC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.37
Rot. Bonds5

About 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 43365746) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID43365746
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCOc2ccccc2N)C1=O
InChIInChI=1S/C14H19N3O3/c1-14(2)12(18)17(13(19)16-14)8-5-9-20-11-7-4-3-6-10(11)15/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,16,19)
InChIKeyLQDFZHXXXJWMOC-UHFFFAOYSA-N
XLogP1.37
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 43365746) is 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCOc2ccccc2N)C1=O.
What is the InChIKey of 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LQDFZHXXXJWMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2)12(18)17(13(19)16-14)8-5-9-20-11-7-4-3-6-10(11)15/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 43365746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).