tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate

C18H28N2O3 — CID 107093993

IUPACtert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC2CCCc3occc32)CCC1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)23-16(21)20-18(9-5-10-18)12-19-14-6-4-7-15-13(14)8-11-22-15/h8,11,14,19H,4-7,9-10,12H2,1-3H3,(H,20,21)
InChIKeyJQOBCUBYHZDUQA-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.69
Rot. Bonds4

About tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate

tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate (PubChem CID 107093993) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate
PubChem CID107093993
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNC2CCCc3occc32)CCC1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)23-16(21)20-18(9-5-10-18)12-19-14-6-4-7-15-13(14)8-11-22-15/h8,11,14,19H,4-7,9-10,12H2,1-3H3,(H,20,21)
InChIKeyJQOBCUBYHZDUQA-UHFFFAOYSA-N
XLogP3.69
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2,2-difluoro-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]carbamate
CID 107094040
1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cycloheptan-1-ol
CID 115466533
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
CID 103096687
2-[4-[[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]methyl]phenyl]propan-2-ol
CID 129402709
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81499013
tert-butyl N-[1-[[(4-methylcycloheptyl)amino]methyl]cyclobutyl]carbamate
CID 107243295
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
CID 115466077
2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
CID 61068662
tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate
CID 104537392
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate (CID 107093993) is tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(CNC2CCCc3occc32)CCC1.
What is the InChIKey of tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate?
The InChIKey is JQOBCUBYHZDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-17(2,3)23-16(21)20-18(9-5-10-18)12-19-14-6-4-7-15-13(14)8-11-22-15/h8,11,14,19H,4-7,9-10,12H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107093993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).