2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide

C12H24N2O2 — CID 103811113

IUPAC2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)CC1CNC1
InChIInChI=1S/C12H24N2O2/c1-3-10(4-2)11(15)8-14-12(16)5-9-6-13-7-9/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyUYTBRNXXJVXGOA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.51
Rot. Bonds7

About 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide

2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide (PubChem CID 103811113) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
PubChem CID103811113
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)CC1CNC1
InChIInChI=1S/C12H24N2O2/c1-3-10(4-2)11(15)8-14-12(16)5-9-6-13-7-9/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyUYTBRNXXJVXGOA-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide (CID 103811113) is 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide is CCC(CC)C(O)CNC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The InChIKey is UYTBRNXXJVXGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10(4-2)11(15)8-14-12(16)5-9-6-13-7-9/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
2-(azetidin-3-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.51, 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-(3-ethyl-2-hydroxypentyl)acetamide is sourced from PubChem (CID 103811113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).