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

C10H17NO4 — CID 102272805

IUPACN-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1COC(OCC)OC1
InChIInChI=1S/C10H17NO4/c1-4-13-10-14-5-8(6-15-10)11-9(12)7(2)3/h8,10H,2,4-6H2,1,3H3,(H,11,12)
InChIKeyYMDCELRKAGVDAM-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.41
Rot. Bonds4

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

N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide (PubChem CID 102272805) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide
PubChem CID102272805
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1COC(OCC)OC1
InChIInChI=1S/C10H17NO4/c1-4-13-10-14-5-8(6-15-10)11-9(12)7(2)3/h8,10H,2,4-6H2,1,3H3,(H,11,12)
InChIKeyYMDCELRKAGVDAM-UHFFFAOYSA-N
XLogP0.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.41
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)-2-methylprop-2-enamide?
The IUPAC name of N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide (CID 102272805) is N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC1COC(OCC)OC1.
What is the InChIKey of N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide?
The InChIKey is YMDCELRKAGVDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-13-10-14-5-8(6-15-10)11-9(12)7(2)3/h8,10H,2,4-6H2,1,3H3,(H,11,12).
What are the key properties of N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide?
N-(2-ethoxy-1,3-dioxan-5-yl)-2-methylprop-2-enamide has a molecular weight of 215.25 g/mol, XLogP of 0.41, 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)-2-methylprop-2-enamide is sourced from PubChem (CID 102272805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).