(3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide

C29H38NO2PSi — CID 101126324

IUPAC(3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide
SMILESCC[C@H](COCc1ccccc1)NC(=O)C[C@H](P(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C29H38NO2PSi/c1-5-25(23-32-22-24-15-9-6-10-16-24)30-28(31)21-29(34(2,3)4)33(26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,25,29H,5,21-23H2,1-4H3,(H,30,31)/t25-,29-/m1/s1
InChIKeyKFWJTRPVGZKYFO-VAVYLYDRSA-N
MW491.69 g/mol
LogP5.87
Rot. Bonds12

About (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide

(3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide (PubChem CID 101126324) has the molecular formula C29H38NO2PSi and a molecular weight of 491.69 g/mol. Its IUPAC name is (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide.

Molecular Properties

Compound Name(3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide
PubChem CID101126324
Molecular FormulaC29H38NO2PSi
Molecular Weight491.69 g/mol
Exact Mass491.24
IUPAC Name(3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide
SMILESCC[C@H](COCc1ccccc1)NC(=O)C[C@H](P(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C29H38NO2PSi/c1-5-25(23-32-22-24-15-9-6-10-16-24)30-28(31)21-29(34(2,3)4)33(26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,25,29H,5,21-23H2,1-4H3,(H,30,31)/t25-,29-/m1/s1
InChIKeyKFWJTRPVGZKYFO-VAVYLYDRSA-N
XLogP5.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.69
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide?
The IUPAC name of (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide (CID 101126324) is (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide.
What is the SMILES notation for (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide?
The canonical SMILES for (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide is CC[C@H](COCc1ccccc1)NC(=O)C[C@H](P(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide?
The InChIKey is KFWJTRPVGZKYFO-VAVYLYDRSA-N. The full InChI is InChI=1S/C29H38NO2PSi/c1-5-25(23-32-22-24-15-9-6-10-16-24)30-28(31)21-29(34(2,3)4)33(26-17-11-7-12-18-26)27-19-13-8-14-20-27/h6-20,25,29H,5,21-23H2,1-4H3,(H,30,31)/t25-,29-/m1/s1.
What are the key properties of (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide?
(3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide has a molecular weight of 491.69 g/mol, XLogP of 5.87, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-diphenylphosphanyl-N-[(2R)-1-phenylmethoxybutan-2-yl]-3-trimethylsilylpropanamide is sourced from PubChem (CID 101126324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).