N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide

C25H34NO4P — CID 135065872

IUPACN-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide
SMILESCC(C)(C)NC(=O)C(OP(=O)(c1ccccc1)C(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H34NO4P/c1-25(2,3)26-23(27)22(19-13-7-4-8-14-19)30-31(29,21-17-11-6-12-18-21)24(28)20-15-9-5-10-16-20/h5-6,9-12,15-19,22,24,28H,4,7-8,13-14H2,1-3H3,(H,26,27)
InChIKeyYMWBVOGBQDSVHE-UHFFFAOYSA-N
MW443.52 g/mol
LogP5.16
Rot. Bonds7

About N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide

N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide (PubChem CID 135065872) has the molecular formula C25H34NO4P and a molecular weight of 443.52 g/mol. Its IUPAC name is N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide
PubChem CID135065872
Molecular FormulaC25H34NO4P
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC NameN-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide
SMILESCC(C)(C)NC(=O)C(OP(=O)(c1ccccc1)C(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H34NO4P/c1-25(2,3)26-23(27)22(19-13-7-4-8-14-19)30-31(29,21-17-11-6-12-18-21)24(28)20-15-9-5-10-16-20/h5-6,9-12,15-19,22,24,28H,4,7-8,13-14H2,1-3H3,(H,26,27)
InChIKeyYMWBVOGBQDSVHE-UHFFFAOYSA-N
XLogP5.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide (CID 135065872) is N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide is CC(C)(C)NC(=O)C(OP(=O)(c1ccccc1)C(O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide?
The InChIKey is YMWBVOGBQDSVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34NO4P/c1-25(2,3)26-23(27)22(19-13-7-4-8-14-19)30-31(29,21-17-11-6-12-18-21)24(28)20-15-9-5-10-16-20/h5-6,9-12,15-19,22,24,28H,4,7-8,13-14H2,1-3H3,(H,26,27).
What are the key properties of N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide?
N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide has a molecular weight of 443.52 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclohexyl-2-[[hydroxy(phenyl)methyl]-phenylphosphoryl]oxyacetamide is sourced from PubChem (CID 135065872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).