2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide

C11H22N2O4 — CID 54957248

IUPAC2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCC1COCCO1
InChIInChI=1S/C11H22N2O4/c1-15-4-2-3-13-11(14)8-12-7-10-9-16-5-6-17-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyAPAJHWJHBNHNAL-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.86
Rot. Bonds8

About 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide

2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide (PubChem CID 54957248) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide
PubChem CID54957248
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCC1COCCO1
InChIInChI=1S/C11H22N2O4/c1-15-4-2-3-13-11(14)8-12-7-10-9-16-5-6-17-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyAPAJHWJHBNHNAL-UHFFFAOYSA-N
XLogP-0.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide (CID 54957248) is 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide?
The InChIKey is APAJHWJHBNHNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-15-4-2-3-13-11(14)8-12-7-10-9-16-5-6-17-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide?
2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide has a molecular weight of 246.31 g/mol, XLogP of -0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-ylmethylamino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 54957248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).