N-cyclohexyl-2-ditert-butylphosphanylacetamide

C16H32NOP — CID 59080050

IUPACN-cyclohexyl-2-ditert-butylphosphanylacetamide
SMILESCC(C)(C)P(CC(=O)NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H32NOP/c1-15(2,3)19(16(4,5)6)12-14(18)17-13-10-8-7-9-11-13/h13H,7-12H2,1-6H3,(H,17,18)
InChIKeyLFDJVFMBVXGMMV-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.51
Rot. Bonds3

About N-cyclohexyl-2-ditert-butylphosphanylacetamide

N-cyclohexyl-2-ditert-butylphosphanylacetamide (PubChem CID 59080050) has the molecular formula C16H32NOP and a molecular weight of 285.41 g/mol. Its IUPAC name is N-cyclohexyl-2-ditert-butylphosphanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ditert-butylphosphanylacetamide
PubChem CID59080050
Molecular FormulaC16H32NOP
Molecular Weight285.41 g/mol
Exact Mass285.22
IUPAC NameN-cyclohexyl-2-ditert-butylphosphanylacetamide
SMILESCC(C)(C)P(CC(=O)NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H32NOP/c1-15(2,3)19(16(4,5)6)12-14(18)17-13-10-8-7-9-11-13/h13H,7-12H2,1-6H3,(H,17,18)
InChIKeyLFDJVFMBVXGMMV-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclodecylpropanamide
CID 122483649
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
N-cyclohexyl-3,3-dimethylhexanamide
CID 142647386
N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
3-chloro-N-cycloheptylpropanamide
CID 5152151
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
N-cyclooctylbutanamide
CID 4614062
N-cycloundecyl-2-sulfanylacetamide
CID 59400510
N-cycloheptyl-2-sulfanylacetamide
CID 60650052
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ditert-butylphosphanylacetamide?
The IUPAC name of N-cyclohexyl-2-ditert-butylphosphanylacetamide (CID 59080050) is N-cyclohexyl-2-ditert-butylphosphanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-ditert-butylphosphanylacetamide?
The canonical SMILES for N-cyclohexyl-2-ditert-butylphosphanylacetamide is CC(C)(C)P(CC(=O)NC1CCCCC1)C(C)(C)C.
What is the InChIKey of N-cyclohexyl-2-ditert-butylphosphanylacetamide?
The InChIKey is LFDJVFMBVXGMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32NOP/c1-15(2,3)19(16(4,5)6)12-14(18)17-13-10-8-7-9-11-13/h13H,7-12H2,1-6H3,(H,17,18).
What are the key properties of N-cyclohexyl-2-ditert-butylphosphanylacetamide?
N-cyclohexyl-2-ditert-butylphosphanylacetamide has a molecular weight of 285.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ditert-butylphosphanylacetamide is sourced from PubChem (CID 59080050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).