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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Related Compounds

CID 122214543
CID 122214543
CID 122214534
CID 122214534
CID 122214535
CID 122214535
CID 122214536
CID 122214536
CID 122214537
CID 122214537
CID 122214538
CID 122214538
CID 122214539
CID 122214539
CID 122214540
CID 122214540
CID 122214541
CID 122214541
CID 122214542
CID 122214542
CID 122214544
CID 122214544
CID 122214548
CID 122214548

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).