tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate

C15H26N2O3 — CID 103901706

IUPACtert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
SMILESCC(CCNC(C)c1ccoc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-11(17-14(18)20-15(3,4)5)6-8-16-12(2)13-7-9-19-10-13/h7,9-12,16H,6,8H2,1-5H3,(H,17,18)
InChIKeyVLKZUCQKUHOVMQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.23
Rot. Bonds6

About tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate

tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate (PubChem CID 103901706) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
PubChem CID103901706
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
SMILESCC(CCNC(C)c1ccoc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O3/c1-11(17-14(18)20-15(3,4)5)6-8-16-12(2)13-7-9-19-10-13/h7,9-12,16H,6,8H2,1-5H3,(H,17,18)
InChIKeyVLKZUCQKUHOVMQ-UHFFFAOYSA-N
XLogP3.23
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651
tert-butyl N-[4-[1-(2-fluorophenyl)ethylamino]butan-2-yl]carbamate
CID 103901716
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257084
tert-butyl N-[4-[[1-(furan-3-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107255974
tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170831497
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
tert-butyl 2-[2-[1-(furan-3-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 107244595
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propanoic acid
CID 107247028
tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107247097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate (CID 103901706) is tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate is CC(CCNC(C)c1ccoc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate?
The InChIKey is VLKZUCQKUHOVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(17-14(18)20-15(3,4)5)6-8-16-12(2)13-7-9-19-10-13/h7,9-12,16H,6,8H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate?
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate is sourced from PubChem (CID 103901706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).