tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate

C17H29NO5Si — CID 19019620

IUPACtert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
SMILESCO[Si](CCCN(C(=O)OC(C)(C)C)c1ccccc1)(OC)OC
InChIInChI=1S/C17H29NO5Si/c1-17(2,3)23-16(19)18(15-11-8-7-9-12-15)13-10-14-24(20-4,21-5)22-6/h7-9,11-12H,10,13-14H2,1-6H3
InChIKeyILCQVTWZRNPYFJ-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.70
Rot. Bonds8

About tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate

tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate (PubChem CID 19019620) has the molecular formula C17H29NO5Si and a molecular weight of 355.51 g/mol. Its IUPAC name is tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
PubChem CID19019620
Molecular FormulaC17H29NO5Si
Molecular Weight355.51 g/mol
Exact Mass355.18
IUPAC Nametert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
SMILESCO[Si](CCCN(C(=O)OC(C)(C)C)c1ccccc1)(OC)OC
InChIInChI=1S/C17H29NO5Si/c1-17(2,3)23-16(19)18(15-11-8-7-9-12-15)13-10-14-24(20-4,21-5)22-6/h7-9,11-12H,10,13-14H2,1-6H3
InChIKeyILCQVTWZRNPYFJ-UHFFFAOYSA-N
XLogP3.70
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride
CID 23561714
3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide
CID 59966866
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980
methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
CID 155963850
tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
CID 174804063
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
CID 83717033
tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
CID 125116625
tert-butyl N-[2-(2,2,3,3,3-pentafluoropropoxycarbonylamino)ethyl]-N-phenylcarbamate
CID 54397769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate?
The IUPAC name of tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate (CID 19019620) is tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate?
The canonical SMILES for tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate is CO[Si](CCCN(C(=O)OC(C)(C)C)c1ccccc1)(OC)OC.
What is the InChIKey of tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate?
The InChIKey is ILCQVTWZRNPYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5Si/c1-17(2,3)23-16(19)18(15-11-8-7-9-12-15)13-10-14-24(20-4,21-5)22-6/h7-9,11-12H,10,13-14H2,1-6H3.
What are the key properties of tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate?
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate has a molecular weight of 355.51 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate is sourced from PubChem (CID 19019620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).