3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione

C13H17N3O4 — CID 16794300

IUPAC3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C(N)CN2C(=O)CNC2=O)c1
InChIInChI=1S/C13H17N3O4/c1-19-8-3-4-11(20-2)9(5-8)10(14)7-16-12(17)6-15-13(16)18/h3-5,10H,6-7,14H2,1-2H3,(H,15,18)
InChIKeyQOSKHFRDGHYKEK-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.26
Rot. Bonds5

About 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione

3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 16794300) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID16794300
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C(N)CN2C(=O)CNC2=O)c1
InChIInChI=1S/C13H17N3O4/c1-19-8-3-4-11(20-2)9(5-8)10(14)7-16-12(17)6-15-13(16)18/h3-5,10H,6-7,14H2,1-2H3,(H,15,18)
InChIKeyQOSKHFRDGHYKEK-UHFFFAOYSA-N
XLogP0.26
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212246
1-(2,5-dimethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532358
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163900
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178956

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione (CID 16794300) is 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione is COc1ccc(OC)c(C(N)CN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is QOSKHFRDGHYKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-8-3-4-11(20-2)9(5-8)10(14)7-16-12(17)6-15-13(16)18/h3-5,10H,6-7,14H2,1-2H3,(H,15,18).
What are the key properties of 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione?
3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 279.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 16794300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).