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

C11H19NO4 — CID 103771174

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

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

N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 103771174) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID103771174
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1=COCCO1
InChIInChI=1S/C11H19NO4/c1-8(2)5-9(13)6-12-11(14)10-7-15-3-4-16-10/h7-9,13H,3-6H2,1-2H3,(H,12,14)
InChIKeyCBUWVDIIRDYFER-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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Related Compounds

N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43392740
N-(1-hydroxy-4-methylpentan-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 61245791
N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63294016
N-[(1-hydroxycyclopentyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 64195512
N-(3-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 64460726
N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 64913407
N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65036961
N-(2-ethyl-2-hydroxybutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65114065
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65114401
2-[(2,3-Dihydro-1,4-dioxine-5-carbonylamino)methyl]pentanoic acid
CID 65218509
N-[(2-hydroxycyclopentyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65834623
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 65994737

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 103771174) is N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(C)CC(O)CNC(=O)C1=COCCO1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is CBUWVDIIRDYFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)5-9(13)6-12-11(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-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-hydroxy-4-methylpentyl)-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-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 103771174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).