tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate

C17H26N2O3 — CID 103759298

IUPACtert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
SMILESCOc1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-14-9-13(10-14)18-11-12-5-7-15(21-4)8-6-12/h5-8,13-14,18H,9-11H2,1-4H3,(H,19,20)
InChIKeyUNSADKZOWWUIRW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate (PubChem CID 103759298) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
PubChem CID103759298
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
SMILESCOc1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-14-9-13(10-14)18-11-12-5-7-15(21-4)8-6-12/h5-8,13-14,18H,9-11H2,1-4H3,(H,19,20)
InChIKeyUNSADKZOWWUIRW-UHFFFAOYSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
CID 107239036
tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
CID 107238877
5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
CID 107850172
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
tert-butyl N-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 53256445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate (CID 103759298) is tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate is COc1ccc(CNC2CC(NC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate?
The InChIKey is UNSADKZOWWUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-14-9-13(10-14)18-11-12-5-7-15(21-4)8-6-12/h5-8,13-14,18H,9-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.84, 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-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103759298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).