N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide

C8H15NO4 — CID 141007799

IUPACN-(2-methoxyethyl)-1,3-dioxane-5-carboxamide
SMILESCOCCNC(=O)C1COCOC1
InChIInChI=1S/C8H15NO4/c1-11-3-2-9-8(10)7-4-12-6-13-5-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyYEEGULMASMORFP-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.63
Rot. Bonds4

About N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide

N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide (PubChem CID 141007799) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,3-dioxane-5-carboxamide
PubChem CID141007799
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-(2-methoxyethyl)-1,3-dioxane-5-carboxamide
SMILESCOCCNC(=O)C1COCOC1
InChIInChI=1S/C8H15NO4/c1-11-3-2-9-8(10)7-4-12-6-13-5-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyYEEGULMASMORFP-UHFFFAOYSA-N
XLogP-0.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide
CID 141007804
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N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110940168
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578269
N-(2-methoxyethyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145922
N-(2-methoxyethyl)-1,1-dioxothiane-3-carboxamide
CID 110849249
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
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CID 3543766

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide (CID 141007799) is N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide is COCCNC(=O)C1COCOC1.
What is the InChIKey of N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide?
The InChIKey is YEEGULMASMORFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-11-3-2-9-8(10)7-4-12-6-13-5-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide?
N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide has a molecular weight of 189.21 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 141007799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).