tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate

C16H26N2O3 — CID 107238985

IUPACtert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
SMILESCCc1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C16H26N2O3/c1-5-13-6-7-14(20-13)10-17-11-8-12(9-11)18-15(19)21-16(2,3)4/h6-7,11-12,17H,5,8-10H2,1-4H3,(H,18,19)
InChIKeyUVHWKAKVLBVNRV-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.99
Rot. Bonds5

About tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate (PubChem CID 107238985) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
PubChem CID107238985
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
SMILESCCc1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C16H26N2O3/c1-5-13-6-7-14(20-13)10-17-11-8-12(9-11)18-15(19)21-16(2,3)4/h6-7,11-12,17H,5,8-10H2,1-4H3,(H,18,19)
InChIKeyUVHWKAKVLBVNRV-UHFFFAOYSA-N
XLogP2.99
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
CID 107239036
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate (CID 107238985) is tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate is CCc1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate?
The InChIKey is UVHWKAKVLBVNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-13-6-7-14(20-13)10-17-11-8-12(9-11)18-15(19)21-16(2,3)4/h6-7,11-12,17H,5,8-10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate has a molecular weight of 294.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107238985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).