tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate

C12H25NO4 — CID 143525018

IUPACtert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CN(CC(O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-11(2,3)8-13(7-9(14)15)10(16)17-12(4,5)6/h9,14-15H,7-8H2,1-6H3
InChIKeyVZEQUCQMJALGHT-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.58
Rot. Bonds3

About tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate

tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate (PubChem CID 143525018) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate
PubChem CID143525018
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nametert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CN(CC(O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO4/c1-11(2,3)8-13(7-9(14)15)10(16)17-12(4,5)6/h9,14-15H,7-8H2,1-6H3
InChIKeyVZEQUCQMJALGHT-UHFFFAOYSA-N
XLogP1.58
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N,N-bis(2-hydroxypentyl)carbamate
CID 165352440
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(cyanomethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184665
tert-butyl N-[(2S)-2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-N-(2-methylpropyl)carbamate
CID 21309176
tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
CID 140978282
tert-butyl N-ethyl-N-(2-fluoropropyl)carbamate
CID 123629374
ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91296592
tert-butyl N-[(2R,3S)-2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methylsulfonylphenyl)propyl]-N-(2,2-dimethylpropyl)carbamate
CID 118675452
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate (CID 143525018) is tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate is CC(C)(C)CN(CC(O)O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate?
The InChIKey is VZEQUCQMJALGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-11(2,3)8-13(7-9(14)15)10(16)17-12(4,5)6/h9,14-15H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate?
tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate has a molecular weight of 247.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 143525018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).