2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide

C9H18N2O3 — CID 61024475

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide
SMILESCCNC(=O)CNCC1COCCO1
InChIInChI=1S/C9H18N2O3/c1-2-11-9(12)6-10-5-8-7-13-3-4-14-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyURFBECXGHLILCE-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.87
Rot. Bonds5

About 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide

2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide (PubChem CID 61024475) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide
PubChem CID61024475
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide
SMILESCCNC(=O)CNCC1COCCO1
InChIInChI=1S/C9H18N2O3/c1-2-11-9(12)6-10-5-8-7-13-3-4-14-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyURFBECXGHLILCE-UHFFFAOYSA-N
XLogP-0.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide (CID 61024475) is 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide is CCNC(=O)CNCC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide?
The InChIKey is URFBECXGHLILCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-11-9(12)6-10-5-8-7-13-3-4-14-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide?
2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide has a molecular weight of 202.25 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethylamino)-N-ethylacetamide is sourced from PubChem (CID 61024475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).