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

C12H24N2O2 — CID 106161202

IUPAC2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)C(C)C1CNC1
InChIInChI=1S/C12H24N2O2/c1-9(8-15)4-3-5-14-12(16)10(2)11-6-13-7-11/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyBRCMCHGLQBHNJH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.37
Rot. Bonds7

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

2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide (PubChem CID 106161202) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide
PubChem CID106161202
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)C(C)C1CNC1
InChIInChI=1S/C12H24N2O2/c1-9(8-15)4-3-5-14-12(16)10(2)11-6-13-7-11/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyBRCMCHGLQBHNJH-UHFFFAOYSA-N
XLogP0.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
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-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide (CID 106161202) is 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide is CC(CO)CCCNC(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide?
The InChIKey is BRCMCHGLQBHNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(8-15)4-3-5-14-12(16)10(2)11-6-13-7-11/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide?
2-(azetidin-3-yl)-N-(5-hydroxy-4-methylpentyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.37, 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)propanamide is sourced from PubChem (CID 106161202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).