N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C13H15NO3 — CID 18108680

IUPACN-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCc1ccccc1)C1=COCCO1
InChIInChI=1S/C13H15NO3/c15-13(12-10-16-8-9-17-12)14-7-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChIKeyAXCBZKUCIQGOLP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.23
Rot. Bonds4

About N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 18108680) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID18108680
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCc1ccccc1)C1=COCCO1
InChIInChI=1S/C13H15NO3/c15-13(12-10-16-8-9-17-12)14-7-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15)
InChIKeyAXCBZKUCIQGOLP-UHFFFAOYSA-N
XLogP1.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63237622
N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7732666
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 29447949
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 106385305
N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523783
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 5186489
N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 84585411
N-[(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24575317
N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 115302597

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 18108680) is N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCCc1ccccc1)C1=COCCO1.
What is the InChIKey of N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is AXCBZKUCIQGOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(12-10-16-8-9-17-12)14-7-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,14,15).
What are the key properties of N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 18108680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).