N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide

C10H19NO4 — CID 141007804

IUPACN-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide
SMILESCOCCCNC(=O)C1COC(C)OC1
InChIInChI=1S/C10H19NO4/c1-8-14-6-9(7-15-8)10(12)11-4-3-5-13-2/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDQKVTROSEMTHGB-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.15
Rot. Bonds5

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

N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide (PubChem CID 141007804) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide
PubChem CID141007804
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide
SMILESCOCCCNC(=O)C1COC(C)OC1
InChIInChI=1S/C10H19NO4/c1-8-14-6-9(7-15-8)10(12)11-4-3-5-13-2/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyDQKVTROSEMTHGB-UHFFFAOYSA-N
XLogP0.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.15
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)cyclopropanecarboxamide
CID 5052597
2-methyl-N-propyl-1,3-dioxane-5-carboxamide
CID 141007817
N-(2-methoxyethyl)-1,3-dioxane-5-carboxamide
CID 141007799
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
4-N-tert-butyl-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146641
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114129707
N-(3-methoxypropyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513055
N-(5-methoxypentyl)-5-methylpiperidine-3-carboxamide
CID 114130968
3-methoxypropylurea
CID 2064040
1-cyclopropylsulfonyl-N-(3-methoxypropyl)azetidine-3-carboxamide
CID 71785561
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide (CID 141007804) is N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide is COCCCNC(=O)C1COC(C)OC1.
What is the InChIKey of N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide?
The InChIKey is DQKVTROSEMTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8-14-6-9(7-15-8)10(12)11-4-3-5-13-2/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide?
N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide has a molecular weight of 217.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 141007804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).