tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate

C12H25NO3 — CID 130655244

IUPACtert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
SMILESCCC(C)(C)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-7-12(5,6)15-9-8-13-10(14)16-11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyIROPDFDBSIAVDL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate

tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate (PubChem CID 130655244) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
PubChem CID130655244
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
SMILESCCC(C)(C)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-7-12(5,6)15-9-8-13-10(14)16-11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyIROPDFDBSIAVDL-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 115654968
tert-butyl N-[2-(methoxymethylperoxy)ethyl]carbamate
CID 170098120
tert-butyl N-(2-dihydroxyphosphanyloxyethyl)carbamate
CID 11493582
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-(ethylaminomethyl)carbamate
CID 141447583
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate (CID 130655244) is tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate is CCC(C)(C)OCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate?
The InChIKey is IROPDFDBSIAVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-7-12(5,6)15-9-8-13-10(14)16-11(2,3)4/h7-9H2,1-6H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate?
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate is sourced from PubChem (CID 130655244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).