N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide

C20H27NO2Si — CID 142949397

IUPACN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC=O
InChIInChI=1S/C20H27NO2Si/c1-17(21-16-22)15-23-24(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17H,15H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyFRVWQQZXHIIMTK-KRWDZBQOSA-N
MW341.53 g/mol
LogP2.70
Rot. Bonds7

About N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide

N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide (PubChem CID 142949397) has the molecular formula C20H27NO2Si and a molecular weight of 341.53 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide
PubChem CID142949397
Molecular FormulaC20H27NO2Si
Molecular Weight341.53 g/mol
Exact Mass341.18
IUPAC NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC=O
InChIInChI=1S/C20H27NO2Si/c1-17(21-16-22)15-23-24(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17H,15H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyFRVWQQZXHIIMTK-KRWDZBQOSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide (CID 142949397) is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC=O.
What is the InChIKey of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide?
The InChIKey is FRVWQQZXHIIMTK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27NO2Si/c1-17(21-16-22)15-23-24(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17H,15H2,1-4H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide?
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide has a molecular weight of 341.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]formamide is sourced from PubChem (CID 142949397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).