N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride

C8H14ClNO3 — CID 130621806

IUPACN-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride
SMILESCCN(C)C(=O)C1=COCCO1.Cl
InChIInChI=1S/C8H13NO3.ClH/c1-3-9(2)8(10)7-6-11-4-5-12-7;/h6H,3-5H2,1-2H3;1H
InChIKeyNUMNZHIGNFJNDT-UHFFFAOYSA-N
MW207.66 g/mol
LogP0.77
Rot. Bonds2

About N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride

N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride (PubChem CID 130621806) has the molecular formula C8H14ClNO3 and a molecular weight of 207.66 g/mol. Its IUPAC name is N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride
PubChem CID130621806
Molecular FormulaC8H14ClNO3
Molecular Weight207.66 g/mol
Exact Mass207.07
IUPAC NameN-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride
SMILESCCN(C)C(=O)C1=COCCO1.Cl
InChIInChI=1S/C8H13NO3.ClH/c1-3-9(2)8(10)7-6-11-4-5-12-7;/h6H,3-5H2,1-2H3;1H
InChIKeyNUMNZHIGNFJNDT-UHFFFAOYSA-N
XLogP0.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2,3-dihydro-1,4-dioxine-5-carbonyl(methyl)amino]ethyl]benzoic acid
CID 104546951
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 13088123
N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 54913450
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
2-[cyclopentyl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]acetic acid
CID 60826600
N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 43392740
2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)acetic acid
CID 28789456
N-methyl-N-piperidin-3-yl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 63644411
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride
CID 16808556
N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103920042
N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 115302597
N-pent-3-ynyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 104581121

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride (CID 130621806) is N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride is CCN(C)C(=O)C1=COCCO1.Cl.
What is the InChIKey of N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride?
The InChIKey is NUMNZHIGNFJNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.ClH/c1-3-9(2)8(10)7-6-11-4-5-12-7;/h6H,3-5H2,1-2H3;1H.
What are the key properties of N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride?
N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride has a molecular weight of 207.66 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride is sourced from PubChem (CID 130621806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).