tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate

C12H21NO4 — CID 75406583

IUPACtert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C1CCOCC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-8-10(14)9-4-6-16-7-5-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyRCHYUVWLGRYUCH-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.51
Rot. Bonds3

About tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate (PubChem CID 75406583) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate
PubChem CID75406583
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)C1CCOCC1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-8-10(14)9-4-6-16-7-5-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKeyRCHYUVWLGRYUCH-UHFFFAOYSA-N
XLogP1.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[3-methyl-2-[(oxan-4-ylamino)methyl]butyl]carbamate
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tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
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tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate (CID 75406583) is tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)C1CCOCC1.
What is the InChIKey of tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate?
The InChIKey is RCHYUVWLGRYUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-8-10(14)9-4-6-16-7-5-9/h9H,4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate has a molecular weight of 243.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 75406583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).