2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide

C12H24NO5P — CID 86592927

IUPAC2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide
SMILESCCOP(=O)(CC(=O)NC1CCC(O)CC1)OCC
InChIInChI=1S/C12H24NO5P/c1-3-17-19(16,18-4-2)9-12(15)13-10-5-7-11(14)8-6-10/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyVOLAXYRKYKMRHN-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.67
Rot. Bonds7

About 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide

2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 86592927) has the molecular formula C12H24NO5P and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide
PubChem CID86592927
Molecular FormulaC12H24NO5P
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide
SMILESCCOP(=O)(CC(=O)NC1CCC(O)CC1)OCC
InChIInChI=1S/C12H24NO5P/c1-3-17-19(16,18-4-2)9-12(15)13-10-5-7-11(14)8-6-10/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyVOLAXYRKYKMRHN-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'}

Analyze 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide
CID 71511611
N-cyclohexyl-2-diethoxyphosphorylacetamide
CID 88915385
2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide
CID 86592928
(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide
CID 134860935
N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
CID 21027139
N-(4-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79286896
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
2-(butan-2-ylamino)-N-(4-hydroxycyclohexyl)acetamide
CID 60852285
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide
CID 43508881

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide (CID 86592927) is 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide is CCOP(=O)(CC(=O)NC1CCC(O)CC1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is VOLAXYRKYKMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO5P/c1-3-17-19(16,18-4-2)9-12(15)13-10-5-7-11(14)8-6-10/h10-11,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide?
2-diethoxyphosphoryl-N-(4-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-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 86592927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).