3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione

C13H17N3O3 — CID 80579057

IUPAC3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N(c2ccc(CN)cc2)C1=O
InChIInChI=1S/C13H17N3O3/c1-19-7-6-15-9-12(17)16(13(15)18)11-4-2-10(8-14)3-5-11/h2-5H,6-9,14H2,1H3
InChIKeyXUQUPXMFKYGLFQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.56
Rot. Bonds5

About 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione

3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 80579057) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID80579057
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1CC(=O)N(c2ccc(CN)cc2)C1=O
InChIInChI=1S/C13H17N3O3/c1-19-7-6-15-9-12(17)16(13(15)18)11-4-2-10(8-14)3-5-11/h2-5H,6-9,14H2,1H3
InChIKeyXUQUPXMFKYGLFQ-UHFFFAOYSA-N
XLogP0.56
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.56
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-Phenylimidazolidine-2,4-dione
CID 227930
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
5-(4-Dimethylamino-benzylidene)-imidazolidine-2,4-dione
CID 745258
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
1-(4-Aminobenzyl)-3-[2-Oxo-2-(Pyrrolidin-1-Yl)ethyl]urea
CID 53261396
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
1-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219695
[3-(4-Methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 3426586
N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4212204
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4694377
N-methyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 4885079

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione (CID 80579057) is 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1CC(=O)N(c2ccc(CN)cc2)C1=O.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is XUQUPXMFKYGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-7-6-15-9-12(17)16(13(15)18)11-4-2-10(8-14)3-5-11/h2-5H,6-9,14H2,1H3.
What are the key properties of 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione?
3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 80579057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).