N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide

C10H20NO6P — CID 123865959

IUPACN-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide
SMILESCCCC(O)C(COP1(=O)OCCO1)NC(C)=O
InChIInChI=1S/C10H20NO6P/c1-3-4-10(13)9(11-8(2)12)7-17-18(14)15-5-6-16-18/h9-10,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyRUAMQHCLIADHOL-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.82
Rot. Bonds7

About N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide

N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide (PubChem CID 123865959) has the molecular formula C10H20NO6P and a molecular weight of 281.24 g/mol. Its IUPAC name is N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide
PubChem CID123865959
Molecular FormulaC10H20NO6P
Molecular Weight281.24 g/mol
Exact Mass281.10
IUPAC NameN-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide
SMILESCCCC(O)C(COP1(=O)OCCO1)NC(C)=O
InChIInChI=1S/C10H20NO6P/c1-3-4-10(13)9(11-8(2)12)7-17-18(14)15-5-6-16-18/h9-10,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyRUAMQHCLIADHOL-UHFFFAOYSA-N
XLogP0.82
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]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 N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide?
The IUPAC name of N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide (CID 123865959) is N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide.
What is the SMILES notation for N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide?
The canonical SMILES for N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide is CCCC(O)C(COP1(=O)OCCO1)NC(C)=O.
What is the InChIKey of N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide?
The InChIKey is RUAMQHCLIADHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO6P/c1-3-4-10(13)9(11-8(2)12)7-17-18(14)15-5-6-16-18/h9-10,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide?
N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide has a molecular weight of 281.24 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide is sourced from PubChem (CID 123865959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).