N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide

C8H16N2O3 — CID 61024343

IUPACN-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NCC1COCCO1
InChIInChI=1S/C8H16N2O3/c1-9-5-8(11)10-4-7-6-12-2-3-13-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyFGQPOQREWAIXHD-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.26
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide

N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide (PubChem CID 61024343) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide
PubChem CID61024343
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NCC1COCCO1
InChIInChI=1S/C8H16N2O3/c1-9-5-8(11)10-4-7-6-12-2-3-13-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyFGQPOQREWAIXHD-UHFFFAOYSA-N
XLogP-1.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide 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 N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide (CID 61024343) is N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide is CNCC(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide?
The InChIKey is FGQPOQREWAIXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-9-5-8(11)10-4-7-6-12-2-3-13-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide?
N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide has a molecular weight of 188.23 g/mol, XLogP of -1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-(methylamino)acetamide is sourced from PubChem (CID 61024343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).