2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide

C11H22N2O2 — CID 103951062

IUPAC2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)CC1CNC1
InChIInChI=1S/C11H22N2O2/c1-9(8-14)3-2-4-13-11(15)5-10-6-12-7-10/h9-10,12,14H,2-8H2,1H3,(H,13,15)
InChIKeyRANVZCPKQSDHJE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.12
Rot. Bonds7

About 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide

2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103951062) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103951062
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)CC1CNC1
InChIInChI=1S/C11H22N2O2/c1-9(8-14)3-2-4-13-11(15)5-10-6-12-7-10/h9-10,12,14H,2-8H2,1H3,(H,13,15)
InChIKeyRANVZCPKQSDHJE-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)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 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103951062) is 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is RANVZCPKQSDHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(8-14)3-2-4-13-11(15)5-10-6-12-7-10/h9-10,12,14H,2-8H2,1H3,(H,13,15).
What are the key properties of 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103951062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).