tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate

C11H21NO3 — CID 22714616

IUPACtert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate
SMILESCC(CCC=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(7-6-8-13)12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyZUBFDFTWPBWMPD-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate

tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate (PubChem CID 22714616) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate
PubChem CID22714616
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate
SMILESCC(CCC=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-9(7-6-8-13)12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyZUBFDFTWPBWMPD-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-[(tert-butoxy)carbonyl]-N-(4-oxobutyl)carbamate
CID 10891497
tert-Butyl methyl(4-oxobutyl)carbamate
CID 15078448
Carbamic acid, N-methyl-N-(5-oxopentyl)-, 1,1-dimethylethyl ester
CID 118519664
Tert-butyl 2-(2-oxoethyl)azetidine-1-carboxylate
CID 129918553
tert-butyl N-(3-formylcyclobutyl)-N-methylcarbamate
CID 164574198
(S)-(1-Formyl-3-methyl-butyl)-methyl-carbamic acid tert-butyl ester
CID 54220075
(2R,3S)-tert-butyl 2-ethyl-3-formylaziridine-1-carboxylate
CID 90121328
tert-butyl N-(4-fluoro-4-methyl-1-oxopentan-2-yl)-N-methylcarbamate
CID 145346293
tert-butyl (2R,3R)-2-ethyl-3-formylaziridine-1-carboxylate
CID 154708923
tert-butyl N-(1-fluoro-4-oxobutan-2-yl)-N-methylcarbamate
CID 105473882
tert-butyl N-methyl-N-(5,5,5-trifluoro-1-oxopentan-2-yl)carbamate
CID 165608592
tert-butyl N-methyl-N-(4,4,5,5,5-pentafluoro-1-oxopentan-2-yl)carbamate
CID 165753408

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate (CID 22714616) is tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate is CC(CCC=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate?
The InChIKey is ZUBFDFTWPBWMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(7-6-8-13)12(5)10(14)15-11(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate?
tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(5-oxopentan-2-yl)carbamate is sourced from PubChem (CID 22714616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).