tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate

C13H25NO4 — CID 177056191

IUPACtert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate
SMILESCCC(CCN(C)C(=O)OC(C)(C)C)OCC=O
InChIInChI=1S/C13H25NO4/c1-6-11(17-10-9-15)7-8-14(5)12(16)18-13(2,3)4/h9,11H,6-8,10H2,1-5H3
InChIKeyRYUYLPPYKOILFJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.24
Rot. Bonds7

About tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate

tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate (PubChem CID 177056191) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate
PubChem CID177056191
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate
SMILESCCC(CCN(C)C(=O)OC(C)(C)C)OCC=O
InChIInChI=1S/C13H25NO4/c1-6-11(17-10-9-15)7-8-14(5)12(16)18-13(2,3)4/h9,11H,6-8,10H2,1-5H3
InChIKeyRYUYLPPYKOILFJ-UHFFFAOYSA-N
XLogP2.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
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CID 87572620
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
tert-butyl N-methyl-N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]carbamate
CID 123979140
tert-butyl N-(3-hydroxy-5-methylhexyl)-N-methylcarbamate
CID 91303071
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-methyl-N-[3-(4-piperazin-1-ylphenoxy)pentyl]carbamate
CID 71214243
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate (CID 177056191) is tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate is CCC(CCN(C)C(=O)OC(C)(C)C)OCC=O.
What is the InChIKey of tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate?
The InChIKey is RYUYLPPYKOILFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-11(17-10-9-15)7-8-14(5)12(16)18-13(2,3)4/h9,11H,6-8,10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate?
tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(2-oxoethoxy)pentyl]carbamate is sourced from PubChem (CID 177056191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).