N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide

C11H21NO4 — CID 103954065

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide
SMILESCOCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H21NO4/c1-15-6-2-3-10(14)12-11(9-13)4-7-16-8-5-11/h13H,2-9H2,1H3,(H,12,14)
InChIKeyKNRQJSQMDAFYPQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.07
Rot. Bonds6

About N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide

N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide (PubChem CID 103954065) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide
PubChem CID103954065
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide
SMILESCOCCCC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C11H21NO4/c1-15-6-2-3-10(14)12-11(9-13)4-7-16-8-5-11/h13H,2-9H2,1H3,(H,12,14)
InChIKeyKNRQJSQMDAFYPQ-UHFFFAOYSA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide 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-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide (CID 103954065) is N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide is COCCCC(=O)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide?
The InChIKey is KNRQJSQMDAFYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-15-6-2-3-10(14)12-11(9-13)4-7-16-8-5-11/h13H,2-9H2,1H3,(H,12,14).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide?
N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide has a molecular weight of 231.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-4-methoxybutanamide is sourced from PubChem (CID 103954065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).