tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate

C15H23NO3 — CID 139793857

IUPACtert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)O
InChIInChI=1S/C15H23NO3/c1-14(2,3)19-13(17)16(15(4,5)18)11-12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3
InChIKeyGNABITMUKLKQSV-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.15
Rot. Bonds3

About tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate

tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate (PubChem CID 139793857) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
PubChem CID139793857
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)O
InChIInChI=1S/C15H23NO3/c1-14(2,3)19-13(17)16(15(4,5)18)11-12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3
InChIKeyGNABITMUKLKQSV-UHFFFAOYSA-N
XLogP3.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-amino-1,1,1-trifluoropropan-2-yl)-N-benzylcarbamate
CID 162549928
tert-butyl N-benzyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate;1,1,1-trifluoro-2-methylpropan-2-amine;hydrochloride
CID 158654393
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
tert-butyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]carbamate
CID 139793833
tert-butyl N-benzyl-N-(bromomethyl)carbamate
CID 175490279
tert-butyl N-benzyl-N-(methylamino)carbamate
CID 54080380
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
CID 130815225
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
tert-butyl N-[benzoyl(benzyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030176
tert-butyl N-benzyl-N-[(2R)-2-methyl-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
CID 54012842

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate (CID 139793857) is tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C(C)(C)O.
What is the InChIKey of tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate?
The InChIKey is GNABITMUKLKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-14(2,3)19-13(17)16(15(4,5)18)11-12-9-7-6-8-10-12/h6-10,18H,11H2,1-5H3.
What are the key properties of tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate?
tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate has a molecular weight of 265.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(2-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 139793857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).