3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione

C14H19N3O3 — CID 43212246

IUPAC3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C)cc1C(N)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C14H19N3O3/c1-9-4-5-12(20-3)10(6-9)11(15)7-17-13(18)8-16(2)14(17)19/h4-6,11H,7-8,15H2,1-3H3
InChIKeyQVAUGVVQLOSYLX-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.90
Rot. Bonds4

About 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione

3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43212246) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
PubChem CID43212246
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccc(C)cc1C(N)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C14H19N3O3/c1-9-4-5-12(20-3)10(6-9)11(15)7-17-13(18)8-16(2)14(17)19/h4-6,11H,7-8,15H2,1-3H3
InChIKeyQVAUGVVQLOSYLX-UHFFFAOYSA-N
XLogP0.90
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.90
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-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212262
1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178956
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769350
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 60872721
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212257
3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 16794300
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65320598
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione (CID 43212246) is 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione is COc1ccc(C)cc1C(N)CN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is QVAUGVVQLOSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-5-12(20-3)10(6-9)11(15)7-17-13(18)8-16(2)14(17)19/h4-6,11H,7-8,15H2,1-3H3.
What are the key properties of 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43212246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).