2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

C14H28N2O4 — CID 81219632

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C14H28N2O4/c1-11(2)19-6-4-5-15-14(18)8-16-7-13(9-17)20-10-12(16)3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyIVRHAAMOBYRELM-UHFFFAOYSA-N
MW288.39 g/mol
LogP-0.00
Rot. Bonds8

About 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 81219632) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID81219632
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CN1CC(CO)OCC1C
InChIInChI=1S/C14H28N2O4/c1-11(2)19-6-4-5-15-14(18)8-16-7-13(9-17)20-10-12(16)3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyIVRHAAMOBYRELM-UHFFFAOYSA-N
XLogP-0.00
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 5-0.00
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-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 81219632) is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CN1CC(CO)OCC1C.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is IVRHAAMOBYRELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)19-6-4-5-15-14(18)8-16-7-13(9-17)20-10-12(16)3/h11-13,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of -0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 81219632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).