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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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).