2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate

C19H30N2O4Si — CID 176596244

IUPAC2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate
SMILESCC1(NC(=O)OCC[Si](C)(C)C)CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H30N2O4Si/c1-19(21-18(23)24-10-11-26(2,3)4)12-16(13-19)20-17(22)25-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyMMKIBRDKCXWPBE-UHFFFAOYSA-N
MW378.55 g/mol
LogP3.90
Rot. Bonds7

About 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate

2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate (PubChem CID 176596244) has the molecular formula C19H30N2O4Si and a molecular weight of 378.55 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate
PubChem CID176596244
Molecular FormulaC19H30N2O4Si
Molecular Weight378.55 g/mol
Exact Mass378.20
IUPAC Name2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate
SMILESCC1(NC(=O)OCC[Si](C)(C)C)CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H30N2O4Si/c1-19(21-18(23)24-10-11-26(2,3)4)12-16(13-19)20-17(22)25-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyMMKIBRDKCXWPBE-UHFFFAOYSA-N
XLogP3.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
[(3S)-3-methyl-3-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid
CID 122514592
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
bis(benzyl N-(3,3-dimethylcyclobutyl)carbamate);bis(3,3-dimethylcyclobutan-1-amine);propan-2-ol
CID 161347483
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
3-benzyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 167738824
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate (CID 176596244) is 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate is CC1(NC(=O)OCC[Si](C)(C)C)CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate?
The InChIKey is MMKIBRDKCXWPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4Si/c1-19(21-18(23)24-10-11-26(2,3)4)12-16(13-19)20-17(22)25-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate?
2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate has a molecular weight of 378.55 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate is sourced from PubChem (CID 176596244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).