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

C14H19N3O3 — CID 43212257

IUPAC3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C(N)CN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C14H19N3O3/c1-3-20-11-6-4-10(5-7-11)12(15)8-17-13(18)9-16(2)14(17)19/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyAHTPYSLUCZXRIM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.98
Rot. Bonds5

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

3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43212257) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
PubChem CID43212257
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCCOc1ccc(C(N)CN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C14H19N3O3/c1-3-20-11-6-4-10(5-7-11)12(15)8-17-13(18)9-16(2)14(17)19/h4-7,12H,3,8-9,15H2,1-2H3
InChIKeyAHTPYSLUCZXRIM-UHFFFAOYSA-N
XLogP0.98
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.98
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-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212276
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
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
1-[2-amino-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62489955
1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one
CID 16787547
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212246
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16787975
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-(4-ethoxyphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973650
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 64632965
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione (CID 43212257) is 3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione is CCOc1ccc(C(N)CN2C(=O)CN(C)C2=O)cc1.
What is the InChIKey of 3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is AHTPYSLUCZXRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-20-11-6-4-10(5-7-11)12(15)8-17-13(18)9-16(2)14(17)19/h4-7,12H,3,8-9,15H2,1-2H3.
What are the key properties of 3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 0.98, 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-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43212257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).