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

C9H15NO4 — CID 65036961

IUPACN-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(CO)CNC(=O)C1=COCCO1
InChIInChI=1S/C9H15NO4/c1-7(5-11)4-10-9(12)8-6-13-2-3-14-8/h6-7,11H,2-5H2,1H3,(H,10,12)
InChIKeyGZIPWBDFAODTJW-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.38
Rot. Bonds4

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

N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 65036961) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID65036961
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(CO)CNC(=O)C1=COCCO1
InChIInChI=1S/C9H15NO4/c1-7(5-11)4-10-9(12)8-6-13-2-3-14-8/h6-7,11H,2-5H2,1H3,(H,10,12)
InChIKeyGZIPWBDFAODTJW-UHFFFAOYSA-N
XLogP-0.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 65036961) is N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(CO)CNC(=O)C1=COCCO1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is GZIPWBDFAODTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-7(5-11)4-10-9(12)8-6-13-2-3-14-8/h6-7,11H,2-5H2,1H3,(H,10,12).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 201.22 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 65036961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).