tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate

C12H17NO4 — CID 165467897

IUPACtert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)c1ccco1
InChIInChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-7-6-9(14)10-5-4-8-16-10/h4-5,8H,6-7H2,1-3H3,(H,13,15)
InChIKeyPISATKCTUVKKIU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.38
Rot. Bonds4

About tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate

tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate (PubChem CID 165467897) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
PubChem CID165467897
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nametert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)c1ccco1
InChIInChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-7-6-9(14)10-5-4-8-16-10/h4-5,8H,6-7H2,1-3H3,(H,13,15)
InChIKeyPISATKCTUVKKIU-UHFFFAOYSA-N
XLogP2.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
CID 42014589
tert-butyl N-[3-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543198
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
tert-butyl N-[3-[[N-[2-(furan-2-carbonylamino)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887057
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
tert-butyl 2-(furan-2-yl)-2-oxoacetate
CID 13187906
1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one
CID 70926778
tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
CID 11024352
tert-butyl N-[[(2R)-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]carbamate
CID 97174574
1-(furan-2-yl)-3-[(2-hydroxy-3,3-dimethylbutyl)amino]propan-1-one
CID 70926804
tert-butyl N-[1-(furan-2-yl)ethylideneamino]carbamate
CID 3874602

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate (CID 165467897) is tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)c1ccco1.
What is the InChIKey of tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate?
The InChIKey is PISATKCTUVKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-7-6-9(14)10-5-4-8-16-10/h4-5,8H,6-7H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate?
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate has a molecular weight of 239.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate is sourced from PubChem (CID 165467897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).