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

C8H13NO4 — CID 43392740

IUPACN-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(O)CNC(=O)C1=COCCO1
InChIInChI=1S/C8H13NO4/c1-6(10)4-9-8(11)7-5-12-2-3-13-7/h5-6,10H,2-4H2,1H3,(H,9,11)
InChIKeyAOXSFBJGLUOIDU-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.63
Rot. Bonds3

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

N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 43392740) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID43392740
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameN-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCC(O)CNC(=O)C1=COCCO1
InChIInChI=1S/C8H13NO4/c1-6(10)4-9-8(11)7-5-12-2-3-13-7/h5-6,10H,2-4H2,1H3,(H,9,11)
InChIKeyAOXSFBJGLUOIDU-UHFFFAOYSA-N
XLogP-0.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(methylamino)propyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 115302597
(3S)-3-[(2,3-dihydro-1,4-dioxine-5-carbonylamino)methyl]-5-methylhexanoic acid
CID 65493277
3-[(2,3-dihydro-1,4-dioxine-5-carbonylamino)methyl]pentanoic acid
CID 81067002
5-(2,3-dihydro-1,4-dioxine-5-carbonylamino)hexanoic acid
CID 82854747
N-[(2R)-1-hydroxybutan-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 103920042
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 29447949
N-[(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24575317
N-ethyl-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide;hydrochloride
CID 130621806
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17403886
N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 51072460
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395498

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 43392740) is N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CC(O)CNC(=O)C1=COCCO1.
What is the InChIKey of N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is AOXSFBJGLUOIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(10)4-9-8(11)7-5-12-2-3-13-7/h5-6,10H,2-4H2,1H3,(H,9,11).
What are the key properties of N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 187.19 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 43392740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).