N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide

C22H30NOP — CID 164676513

IUPACN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C22H30NOP/c1-17(2)20(23-21(24)22(3,4)5)16-25(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16H2,1-5H3,(H,23,24)/t20-/m1/s1
InChIKeyWSOJJORZVMMFQT-HXUWFJFHSA-N
MW355.46 g/mol
LogP4.31
Rot. Bonds6

About N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide

N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 164676513) has the molecular formula C22H30NOP and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide
PubChem CID164676513
Molecular FormulaC22H30NOP
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C22H30NOP/c1-17(2)20(23-21(24)22(3,4)5)16-25(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16H2,1-5H3,(H,23,24)/t20-/m1/s1
InChIKeyWSOJJORZVMMFQT-HXUWFJFHSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide (CID 164676513) is N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide is CC(C)[C@@H](CP(c1ccccc1)c1ccccc1)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is WSOJJORZVMMFQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30NOP/c1-17(2)20(23-21(24)22(3,4)5)16-25(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,16H2,1-5H3,(H,23,24)/t20-/m1/s1.
What are the key properties of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 164676513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).