tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate

C15H28N2O3 — CID 71982667

IUPACtert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
SMILESCC(C)(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C15H28N2O3/c1-13(2,3)16-11(18)10-15(8-7-9-15)17-12(19)20-14(4,5)6/h7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyHVYZKDGWBAQTOX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate

tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate (PubChem CID 71982667) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
PubChem CID71982667
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
SMILESCC(C)(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C15H28N2O3/c1-13(2,3)16-11(18)10-15(8-7-9-15)17-12(19)20-14(4,5)6/h7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyHVYZKDGWBAQTOX-UHFFFAOYSA-N
XLogP2.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]acetyl]amino]butanoyl]amino]butanoate
CID 10670824
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-2-enoic acid
CID 10729698
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate (CID 71982667) is tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate is CC(C)(C)NC(=O)CC1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate?
The InChIKey is HVYZKDGWBAQTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(2,3)16-11(18)10-15(8-7-9-15)17-12(19)20-14(4,5)6/h7-10H2,1-6H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate?
tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate is sourced from PubChem (CID 71982667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).