2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide

C12H24NO5P — CID 86592928

IUPAC2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide
SMILESCCOP(=O)(CC(=O)NC1CCCCC1O)OCC
InChIInChI=1S/C12H24NO5P/c1-3-17-19(16,18-4-2)9-12(15)13-10-7-5-6-8-11(10)14/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeySYADUXHFEFRTLU-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.67
Rot. Bonds7

About 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide

2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide (PubChem CID 86592928) has the molecular formula C12H24NO5P and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide
PubChem CID86592928
Molecular FormulaC12H24NO5P
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide
SMILESCCOP(=O)(CC(=O)NC1CCCCC1O)OCC
InChIInChI=1S/C12H24NO5P/c1-3-17-19(16,18-4-2)9-12(15)13-10-7-5-6-8-11(10)14/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeySYADUXHFEFRTLU-UHFFFAOYSA-N
XLogP1.67
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide (CID 86592928) is 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide is CCOP(=O)(CC(=O)NC1CCCCC1O)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide?
The InChIKey is SYADUXHFEFRTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO5P/c1-3-17-19(16,18-4-2)9-12(15)13-10-7-5-6-8-11(10)14/h10-11,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide?
2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide has a molecular weight of 293.30 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 86592928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).