2-(dioxan-4-yl)-N,N-dimethylacetamide

C8H15NO3 — CID 87380199

IUPAC2-(dioxan-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCOOC1
InChIInChI=1S/C8H15NO3/c1-9(2)8(10)5-7-3-4-11-12-6-7/h7H,3-6H2,1-2H3
InChIKeyFRJODUSHJWJCPN-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.43
Rot. Bonds2

About 2-(dioxan-4-yl)-N,N-dimethylacetamide

2-(dioxan-4-yl)-N,N-dimethylacetamide (PubChem CID 87380199) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(dioxan-4-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(dioxan-4-yl)-N,N-dimethylacetamide
PubChem CID87380199
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(dioxan-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCOOC1
InChIInChI=1S/C8H15NO3/c1-9(2)8(10)5-7-3-4-11-12-6-7/h7H,3-6H2,1-2H3
InChIKeyFRJODUSHJWJCPN-UHFFFAOYSA-N
XLogP0.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dioxan-4-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(dioxan-4-yl)-N,N-dimethylacetamide (CID 87380199) is 2-(dioxan-4-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(dioxan-4-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(dioxan-4-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CCOOC1.
What is the InChIKey of 2-(dioxan-4-yl)-N,N-dimethylacetamide?
The InChIKey is FRJODUSHJWJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9(2)8(10)5-7-3-4-11-12-6-7/h7H,3-6H2,1-2H3.
What are the key properties of 2-(dioxan-4-yl)-N,N-dimethylacetamide?
2-(dioxan-4-yl)-N,N-dimethylacetamide has a molecular weight of 173.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioxan-4-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 87380199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).