1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one

C13H19N3O3 — CID 104601295

IUPAC1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one
SMILESCOc1ccc(OCCN2CCCN(N)C2=O)cc1
InChIInChI=1S/C13H19N3O3/c1-18-11-3-5-12(6-4-11)19-10-9-15-7-2-8-16(14)13(15)17/h3-6H,2,7-10,14H2,1H3
InChIKeyDNRVYBRNZSCYBK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.08
Rot. Bonds5

About 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one

1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one (PubChem CID 104601295) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one
PubChem CID104601295
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one
SMILESCOc1ccc(OCCN2CCCN(N)C2=O)cc1
InChIInChI=1S/C13H19N3O3/c1-18-11-3-5-12(6-4-11)19-10-9-15-7-2-8-16(14)13(15)17/h3-6H,2,7-10,14H2,1H3
InChIKeyDNRVYBRNZSCYBK-UHFFFAOYSA-N
XLogP1.08
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-propyl-1,3-diazinan-2-one
CID 104601098
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 87022530
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione
CID 43365786
4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethoxy]benzenecarbothioamide
CID 62489959
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one
CID 104601287
3-[2-(4-methoxyphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098655
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
1-[2-(4-methoxyphenoxy)ethyl]-3-methylpiperidin-4-one
CID 114500510
1-[3-(4-aminophenoxy)propyl]-3-methylimidazolidin-2-one
CID 55078835

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one (CID 104601295) is 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one is COc1ccc(OCCN2CCCN(N)C2=O)cc1.
What is the InChIKey of 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one?
The InChIKey is DNRVYBRNZSCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-11-3-5-12(6-4-11)19-10-9-15-7-2-8-16(14)13(15)17/h3-6H,2,7-10,14H2,1H3.
What are the key properties of 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one?
1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 104601295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).