2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide

C18H27N3O3 — CID 75119623

IUPAC2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide
SMILESCCCCC1CC(=O)N(CC(=O)NCCOc2ccccc2)CN1
InChIInChI=1S/C18H27N3O3/c1-2-3-7-15-12-18(23)21(14-20-15)13-17(22)19-10-11-24-16-8-5-4-6-9-16/h4-6,8-9,15,20H,2-3,7,10-14H2,1H3,(H,19,22)
InChIKeyBFBYSUJBIPTHSH-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.52
Rot. Bonds9

About 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide

2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide (PubChem CID 75119623) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide
PubChem CID75119623
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide
SMILESCCCCC1CC(=O)N(CC(=O)NCCOc2ccccc2)CN1
InChIInChI=1S/C18H27N3O3/c1-2-3-7-15-12-18(23)21(14-20-15)13-17(22)19-10-11-24-16-8-5-4-6-9-16/h4-6,8-9,15,20H,2-3,7,10-14H2,1H3,(H,19,22)
InChIKeyBFBYSUJBIPTHSH-UHFFFAOYSA-N
XLogP1.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-2-[4-(4-methylphenyl)-6-oxo-1,3-diazinan-1-yl]acetamide
CID 75119452
2-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 75119447
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626763
N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
CID 75119560
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenoxyethyl)acetamide
CID 51146551
N-benzyl-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)-N-phenylacetamide
CID 75119564
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8521760
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide (CID 75119623) is 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide is CCCCC1CC(=O)N(CC(=O)NCCOc2ccccc2)CN1.
What is the InChIKey of 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is BFBYSUJBIPTHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-3-7-15-12-18(23)21(14-20-15)13-17(22)19-10-11-24-16-8-5-4-6-9-16/h4-6,8-9,15,20H,2-3,7,10-14H2,1H3,(H,19,22).
What are the key properties of 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide?
2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 75119623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).