2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide

C17H31NO5 — CID 23452408

IUPAC2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide
SMILESC=CCOCC1COCC(COCC(=O)N(CCC)CCC)O1
InChIInChI=1S/C17H31NO5/c1-4-7-18(8-5-2)17(19)14-22-13-16-12-21-11-15(23-16)10-20-9-6-3/h6,15-16H,3-5,7-14H2,1-2H3
InChIKeyNPKSUYBIMNHFGZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.64
Rot. Bonds12

About 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide

2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide (PubChem CID 23452408) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide
PubChem CID23452408
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide
SMILESC=CCOCC1COCC(COCC(=O)N(CCC)CCC)O1
InChIInChI=1S/C17H31NO5/c1-4-7-18(8-5-2)17(19)14-22-13-16-12-21-11-15(23-16)10-20-9-6-3/h6,15-16H,3-5,7-14H2,1-2H3
InChIKeyNPKSUYBIMNHFGZ-UHFFFAOYSA-N
XLogP1.64
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide?
The IUPAC name of 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide (CID 23452408) is 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide?
The canonical SMILES for 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide is C=CCOCC1COCC(COCC(=O)N(CCC)CCC)O1.
What is the InChIKey of 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide?
The InChIKey is NPKSUYBIMNHFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO5/c1-4-7-18(8-5-2)17(19)14-22-13-16-12-21-11-15(23-16)10-20-9-6-3/h6,15-16H,3-5,7-14H2,1-2H3.
What are the key properties of 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide?
2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide has a molecular weight of 329.44 g/mol, XLogP of 1.64, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(prop-2-enoxymethyl)-1,4-dioxan-2-yl]methoxy]-N,N-dipropylacetamide is sourced from PubChem (CID 23452408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).