benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate

C19H31NO4Si — CID 146164143

IUPACbenzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
SMILESCC(=O)N(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H31NO4Si/c1-16(21)20(13-10-14-24-25(5,6)19(2,3)4)18(22)23-15-17-11-8-7-9-12-17/h7-9,11-12H,10,13-15H2,1-6H3
InChIKeyUUEOLSCFXFNIHZ-UHFFFAOYSA-N
MW365.55 g/mol
LogP4.58
Rot. Bonds7

About benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate

benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate (PubChem CID 146164143) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
PubChem CID146164143
Molecular FormulaC19H31NO4Si
Molecular Weight365.55 g/mol
Exact Mass365.20
IUPAC Namebenzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
SMILESCC(=O)N(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H31NO4Si/c1-16(21)20(13-10-14-24-25(5,6)19(2,3)4)18(22)23-15-17-11-8-7-9-12-17/h7-9,11-12H,10,13-15H2,1-6H3
InChIKeyUUEOLSCFXFNIHZ-UHFFFAOYSA-N
XLogP4.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate?
The IUPAC name of benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate (CID 146164143) is benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate.
What is the SMILES notation for benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate?
The canonical SMILES for benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate is CC(=O)N(CCCO[Si](C)(C)C(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate?
The InChIKey is UUEOLSCFXFNIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-16(21)20(13-10-14-24-25(5,6)19(2,3)4)18(22)23-15-17-11-8-7-9-12-17/h7-9,11-12H,10,13-15H2,1-6H3.
What are the key properties of benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate?
benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate has a molecular weight of 365.55 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate is sourced from PubChem (CID 146164143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).