tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate

C13H25NO3 — CID 130674392

IUPACtert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
SMILESCCC1(CNC(=O)OC(C)(C)C)CCOCC1
InChIInChI=1S/C13H25NO3/c1-5-13(6-8-16-9-7-13)10-14-11(15)17-12(2,3)4/h5-10H2,1-4H3,(H,14,15)
InChIKeySESXTWIBSCIQMK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.72
Rot. Bonds3

About tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate

tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate (PubChem CID 130674392) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
PubChem CID130674392
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
SMILESCCC1(CNC(=O)OC(C)(C)C)CCOCC1
InChIInChI=1S/C13H25NO3/c1-5-13(6-8-16-9-7-13)10-14-11(15)17-12(2,3)4/h5-10H2,1-4H3,(H,14,15)
InChIKeySESXTWIBSCIQMK-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate
CID 110292759
tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate
CID 90325385
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
CID 163332476
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-4-carboxylate
CID 67520206
tert-butyl N-[[(3R,4R)-3,4-dihydroxyoxan-4-yl]methyl]carbamate;osmium
CID 175946854
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
2-(6-methyl-3-pyridinyl)ethyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-4-yl]acetate
CID 166291231
2-(4-ethyloxan-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 11231522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate (CID 130674392) is tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate is CCC1(CNC(=O)OC(C)(C)C)CCOCC1.
What is the InChIKey of tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate?
The InChIKey is SESXTWIBSCIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-13(6-8-16-9-7-13)10-14-11(15)17-12(2,3)4/h5-10H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate?
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate is sourced from PubChem (CID 130674392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).