N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide

C23H30N2O3Si — CID 127030399

IUPACN-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1N(OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H30N2O3Si/c1-23(2,3)29(4,5)25-20(16-21(25)26)24(22(27)19-14-10-7-11-15-19)28-17-18-12-8-6-9-13-18/h6-15,20H,16-17H2,1-5H3
InChIKeyCYDFLTCVWUSXPP-UHFFFAOYSA-N
MW410.59 g/mol
LogP4.82
Rot. Bonds6

About N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide

N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide (PubChem CID 127030399) has the molecular formula C23H30N2O3Si and a molecular weight of 410.59 g/mol. Its IUPAC name is N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide
PubChem CID127030399
Molecular FormulaC23H30N2O3Si
Molecular Weight410.59 g/mol
Exact Mass410.20
IUPAC NameN-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1N(OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H30N2O3Si/c1-23(2,3)29(4,5)25-20(16-21(25)26)24(22(27)19-14-10-7-11-15-19)28-17-18-12-8-6-9-13-18/h6-15,20H,16-17H2,1-5H3
InChIKeyCYDFLTCVWUSXPP-UHFFFAOYSA-N
XLogP4.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide
CID 127034444
benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-hydroxybutanoate
CID 12804719
benzyl (E)-4-[(2R)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]but-2-enoate
CID 70489460
benzyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]carbamate
CID 15339572
benzyl (2S,3R)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidine-2-carboxylate
CID 140683989
N-[1-benzyl-4-(methylamino)azepan-3-yl]-N-phenylmethoxybenzamide
CID 57106253
benzyl (2S)-2-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-3-yl]oxy-4-methylsulfanylbutanoate
CID 102123621
benzyl (2S)-3-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]methyl]-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidine-2-carboxylate
CID 70878650
benzyl (1S,4Z,5R)-6-[tert-butyl(dimethyl)silyl]-4-(2-methoxy-2-oxoethylidene)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 70018383
[bis(trimethylsilyl)amino]oxymethylbenzene
CID 556622
2-[(3S,4R)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-[(1R)-1-phenylmethoxyethyl]azetidin-3-yl]isoindole-1,3-dione
CID 101084726
benzyl 3-tert-butylsulfanyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 20526355

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide?
The IUPAC name of N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide (CID 127030399) is N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide?
The canonical SMILES for N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide is CC(C)(C)[Si](C)(C)N1C(=O)CC1N(OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide?
The InChIKey is CYDFLTCVWUSXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3Si/c1-23(2,3)29(4,5)25-20(16-21(25)26)24(22(27)19-14-10-7-11-15-19)28-17-18-12-8-6-9-13-18/h6-15,20H,16-17H2,1-5H3.
What are the key properties of N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide?
N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide has a molecular weight of 410.59 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-N-phenylmethoxybenzamide is sourced from PubChem (CID 127030399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).