N-cyclohexyl-2-diethoxyphosphorylacetamide

C12H24NO4P — CID 88915385

IUPACN-cyclohexyl-2-diethoxyphosphorylacetamide
SMILESCCOP(=O)(CC(=O)NC1CCCCC1)OCC
InChIInChI=1S/C12H24NO4P/c1-3-16-18(15,17-4-2)10-12(14)13-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,13,14)
InChIKeyKYDDCFJLZYDQDS-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.70
Rot. Bonds7

About N-cyclohexyl-2-diethoxyphosphorylacetamide

N-cyclohexyl-2-diethoxyphosphorylacetamide (PubChem CID 88915385) has the molecular formula C12H24NO4P and a molecular weight of 277.30 g/mol. Its IUPAC name is N-cyclohexyl-2-diethoxyphosphorylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-diethoxyphosphorylacetamide
PubChem CID88915385
Molecular FormulaC12H24NO4P
Molecular Weight277.30 g/mol
Exact Mass277.14
IUPAC NameN-cyclohexyl-2-diethoxyphosphorylacetamide
SMILESCCOP(=O)(CC(=O)NC1CCCCC1)OCC
InChIInChI=1S/C12H24NO4P/c1-3-16-18(15,17-4-2)10-12(14)13-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,13,14)
InChIKeyKYDDCFJLZYDQDS-UHFFFAOYSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide
CID 86592927
2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide
CID 71511611
2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide
CID 86592928
N-cyclodecylpropanamide
CID 122483649
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
N-cyclooctylbutanamide
CID 4614062
N-cycloheptyl-3-methoxypropanamide
CID 110839127
N-diethoxyphosphorylcyclopentanamine
CID 14195307

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-diethoxyphosphorylacetamide?
The IUPAC name of N-cyclohexyl-2-diethoxyphosphorylacetamide (CID 88915385) is N-cyclohexyl-2-diethoxyphosphorylacetamide.
What is the SMILES notation for N-cyclohexyl-2-diethoxyphosphorylacetamide?
The canonical SMILES for N-cyclohexyl-2-diethoxyphosphorylacetamide is CCOP(=O)(CC(=O)NC1CCCCC1)OCC.
What is the InChIKey of N-cyclohexyl-2-diethoxyphosphorylacetamide?
The InChIKey is KYDDCFJLZYDQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO4P/c1-3-16-18(15,17-4-2)10-12(14)13-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3,(H,13,14).
What are the key properties of N-cyclohexyl-2-diethoxyphosphorylacetamide?
N-cyclohexyl-2-diethoxyphosphorylacetamide has a molecular weight of 277.30 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-diethoxyphosphorylacetamide is sourced from PubChem (CID 88915385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).