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

C10H17NO4 — CID 115968733

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)(CCO)NC(=O)C1=COCCO1
InChIInChI=1S/C10H17NO4/c1-10(2,3-4-12)11-9(13)8-7-14-5-6-15-8/h7,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyTZMVQOROEIAZJL-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.15
Rot. Bonds4

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

N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 115968733) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID115968733
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)(CCO)NC(=O)C1=COCCO1
InChIInChI=1S/C10H17NO4/c1-10(2,3-4-12)11-9(13)8-7-14-5-6-15-8/h7,12H,3-6H2,1-2H3,(H,11,13)
InChIKeyTZMVQOROEIAZJL-UHFFFAOYSA-N
XLogP0.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-2-methylpentanoate
CID 43423946
2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
CID 28789456
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 13088123
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
N-(2-methylbutan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130684532
N-pent-3-ynyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 104581121
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
N-(3-methylpyrrolidin-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 107422675
2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870194
7-chloro-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 115870009
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 18777581
N-pent-4-ynyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103708956

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 115968733) is N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(C)(CCO)NC(=O)C1=COCCO1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is TZMVQOROEIAZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3-4-12)11-9(13)8-7-14-5-6-15-8/h7,12H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 115968733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).