tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate

C23H39NO4Si — CID 139836292

IUPACtert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate
SMILESCC(=O)c1ccc(C(CCN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H39NO4Si/c1-17(25)18-11-13-19(14-12-18)20(28-29(9,10)23(5,6)7)15-16-24(8)21(26)27-22(2,3)4/h11-14,20H,15-16H2,1-10H3
InChIKeyDWUHNKBFLXWOHT-UHFFFAOYSA-N
MW421.65 g/mol
LogP6.21
Rot. Bonds7

About tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate

tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate (PubChem CID 139836292) has the molecular formula C23H39NO4Si and a molecular weight of 421.65 g/mol. Its IUPAC name is tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate
PubChem CID139836292
Molecular FormulaC23H39NO4Si
Molecular Weight421.65 g/mol
Exact Mass421.26
IUPAC Nametert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate
SMILESCC(=O)c1ccc(C(CCN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C23H39NO4Si/c1-17(25)18-11-13-19(14-12-18)20(28-29(9,10)23(5,6)7)15-16-24(8)21(26)27-22(2,3)4/h11-14,20H,15-16H2,1-10H3
InChIKeyDWUHNKBFLXWOHT-UHFFFAOYSA-N
XLogP6.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.65
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(4-acetylphenyl)-3-hydroxypropyl]-N-methylcarbamate
CID 139836256
tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
CID 143215309
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-N-methylcarbamate
CID 155738458
4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]phenol
CID 101141021
sodium 2-(4-chlorophenyl)-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 69223000
tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate
CID 151258384
tert-butyl N-[(E)-5-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10674323
methyl 3-fluoro-5-[(1S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-phenylpropoxy]pyridine-2-carboxylate
CID 156780484
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
CID 175783177
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate (CID 139836292) is tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate is CC(=O)c1ccc(C(CCN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate?
The InChIKey is DWUHNKBFLXWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO4Si/c1-17(25)18-11-13-19(14-12-18)20(28-29(9,10)23(5,6)7)15-16-24(8)21(26)27-22(2,3)4/h11-14,20H,15-16H2,1-10H3.
What are the key properties of tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate?
tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate has a molecular weight of 421.65 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-acetylphenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate is sourced from PubChem (CID 139836292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).