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

C11H19NO4 — CID 65114065

IUPACN-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1=COCCO1
InChIInChI=1S/C11H19NO4/c1-3-11(14,4-2)8-12-10(13)9-7-15-5-6-16-9/h7,14H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyGUXDCVLXCGELNF-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.54
Rot. Bonds5

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

N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 65114065) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID65114065
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1=COCCO1
InChIInChI=1S/C11H19NO4/c1-3-11(14,4-2)8-12-10(13)9-7-15-5-6-16-9/h7,14H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyGUXDCVLXCGELNF-UHFFFAOYSA-N
XLogP0.54
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 65114065) is N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CCC(O)(CC)CNC(=O)C1=COCCO1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is GUXDCVLXCGELNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-11(14,4-2)8-12-10(13)9-7-15-5-6-16-9/h7,14H,3-6,8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 65114065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).