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

C19H24NOP — CID 135022195

IUPACN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C19H24NOP/c1-15(2)19(20-16(3)21)14-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyARMQBUVUCTZAGR-LJQANCHMSA-N
MW313.38 g/mol
LogP3.28
Rot. Bonds6

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

N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide (PubChem CID 135022195) has the molecular formula C19H24NOP and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide
PubChem CID135022195
Molecular FormulaC19H24NOP
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C19H24NOP/c1-15(2)19(20-16(3)21)14-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyARMQBUVUCTZAGR-LJQANCHMSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.28
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]acetamide?
The IUPAC name of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide (CID 135022195) is N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide is CC(=O)N[C@H](CP(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide?
The InChIKey is ARMQBUVUCTZAGR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24NOP/c1-15(2)19(20-16(3)21)14-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,19H,14H2,1-3H3,(H,20,21)/t19-/m1/s1.
What are the key properties of N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide?
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.28, 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]acetamide is sourced from PubChem (CID 135022195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).