N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide

C9H17NO4 — CID 141007797

IUPACN-(3-methoxypropyl)-1,4-dioxane-2-carboxamide
SMILESCOCCCNC(=O)C1COCCO1
InChIInChI=1S/C9H17NO4/c1-12-4-2-3-10-9(11)8-7-13-5-6-14-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyDKBIWJFCSQGTLS-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.45
Rot. Bonds5

About N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide

N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide (PubChem CID 141007797) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,4-dioxane-2-carboxamide
PubChem CID141007797
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-(3-methoxypropyl)-1,4-dioxane-2-carboxamide
SMILESCOCCCNC(=O)C1COCCO1
InChIInChI=1S/C9H17NO4/c1-12-4-2-3-10-9(11)8-7-13-5-6-14-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyDKBIWJFCSQGTLS-UHFFFAOYSA-N
XLogP-0.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.45
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide (CID 141007797) is N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide is COCCCNC(=O)C1COCCO1.
What is the InChIKey of N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide?
The InChIKey is DKBIWJFCSQGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-12-4-2-3-10-9(11)8-7-13-5-6-14-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide?
N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide has a molecular weight of 203.24 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 141007797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).