tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate

C11H21NO3 — CID 86714540

IUPACtert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)(C)C=O
InChIInChI=1S/C11H21NO3/c1-7-12(11(5,6)8-13)9(14)15-10(2,3)4/h8H,7H2,1-6H3
InChIKeyVIKHMSMDUUHYIV-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.22
Rot. Bonds3

About tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate

tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate (PubChem CID 86714540) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
PubChem CID86714540
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)(C)C=O
InChIInChI=1S/C11H21NO3/c1-7-12(11(5,6)8-13)9(14)15-10(2,3)4/h8H,7H2,1-6H3
InChIKeyVIKHMSMDUUHYIV-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-amino-2,3-dimethylbutan-2-yl)-N-ethylcarbamate
CID 134314514
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 87532205
2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 113235750
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-ethyl-N-[(E)-hex-3-en-3-yl]carbamate
CID 135171091
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
tert-butyl N-(2,2-dimethyl-5-oxopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 170702034
(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 146192524
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
tert-butyl N-[2-(diethylamino)ethyl]-N-ethylcarbamate
CID 176669886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate (CID 86714540) is tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate is CCN(C(=O)OC(C)(C)C)C(C)(C)C=O.
What is the InChIKey of tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate?
The InChIKey is VIKHMSMDUUHYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-12(11(5,6)8-13)9(14)15-10(2,3)4/h8H,7H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate?
tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 86714540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).