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

C11H19NO4 — CID 61245791

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1=COCCO1
InChIInChI=1S/C11H19NO4/c1-8(2)5-9(6-13)12-11(14)10-7-15-3-4-16-10/h7-9,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyBBMTZCKEBHAMEJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.40
Rot. Bonds5

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

N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 61245791) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID61245791
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)CC(CO)NC(=O)C1=COCCO1
InChIInChI=1S/C11H19NO4/c1-8(2)5-9(6-13)12-11(14)10-7-15-3-4-16-10/h7-9,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyBBMTZCKEBHAMEJ-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 61245791) is N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(C)CC(CO)NC(=O)C1=COCCO1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is BBMTZCKEBHAMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)5-9(6-13)12-11(14)10-7-15-3-4-16-10/h7-9,13H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 61245791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).