N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C9H15NO5 — CID 60670759

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCOCCO)C1=COCCO1
InChIInChI=1S/C9H15NO5/c11-2-4-13-3-1-10-9(12)8-7-14-5-6-15-8/h7,11H,1-6H2,(H,10,12)
InChIKeyOVSPJAXJOFLLOQ-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.00
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 60670759) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID60670759
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCCOCCO)C1=COCCO1
InChIInChI=1S/C9H15NO5/c11-2-4-13-3-1-10-9(12)8-7-14-5-6-15-8/h7,11H,1-6H2,(H,10,12)
InChIKeyOVSPJAXJOFLLOQ-UHFFFAOYSA-N
XLogP-1.00
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 106385305
N-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66335559
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103
N-[2-(2-hydroxyethoxy)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 60682341
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]pyridine-2-carboxamide
CID 110474765
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 60670759) is N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCCOCCO)C1=COCCO1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is OVSPJAXJOFLLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c11-2-4-13-3-1-10-9(12)8-7-14-5-6-15-8/h7,11H,1-6H2,(H,10,12).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 217.22 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 60670759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).