N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide

C9H15NO4 — CID 102279284

IUPACN-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide
SMILESC=CC(=O)NC1COC(OCC)OC1
InChIInChI=1S/C9H15NO4/c1-3-8(11)10-7-5-13-9(12-4-2)14-6-7/h3,7,9H,1,4-6H2,2H3,(H,10,11)
InChIKeyQNHCSOVCGUMOOK-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.02
Rot. Bonds4

About N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide

N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide (PubChem CID 102279284) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide
PubChem CID102279284
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide
SMILESC=CC(=O)NC1COC(OCC)OC1
InChIInChI=1S/C9H15NO4/c1-3-8(11)10-7-5-13-9(12-4-2)14-6-7/h3,7,9H,1,4-6H2,2H3,(H,10,11)
InChIKeyQNHCSOVCGUMOOK-UHFFFAOYSA-N
XLogP0.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide?
The IUPAC name of N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide (CID 102279284) is N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide.
What is the SMILES notation for N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide?
The canonical SMILES for N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide is C=CC(=O)NC1COC(OCC)OC1.
What is the InChIKey of N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide?
The InChIKey is QNHCSOVCGUMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-8(11)10-7-5-13-9(12-4-2)14-6-7/h3,7,9H,1,4-6H2,2H3,(H,10,11).
What are the key properties of N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide?
N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide has a molecular weight of 201.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide is sourced from PubChem (CID 102279284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).