2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide

C13H26N2O2 — CID 2165494

IUPAC2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCC(CC)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-12(4-2)13(16)14-6-5-7-15-8-10-17-11-9-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyHWWVKOYZUYWBBA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds7

About 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide

2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 2165494) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID2165494
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCC(CC)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-12(4-2)13(16)14-6-5-7-15-8-10-17-11-9-15/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyHWWVKOYZUYWBBA-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide (CID 2165494) is 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide is CCC(CC)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is HWWVKOYZUYWBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12(4-2)13(16)14-6-5-7-15-8-10-17-11-9-15/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide?
2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 2165494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).