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

C16H23ClN2O2 — CID 80558975

IUPACtert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)19-14-8-13(9-14)18-10-11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyNYOYJDZZQBRVBS-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.49
Rot. Bonds4

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

tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate (PubChem CID 80558975) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
PubChem CID80558975
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Nametert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)19-14-8-13(9-14)18-10-11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyNYOYJDZZQBRVBS-UHFFFAOYSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
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-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
CID 113247798
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
tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl N-[4-[(3-chlorophenyl)methylamino]cyclohexyl]carbamate
CID 86277390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate (CID 80558975) is tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCc2ccc(Cl)cc2)C1.
What is the InChIKey of tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate?
The InChIKey is NYOYJDZZQBRVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)19-14-8-13(9-14)18-10-11-4-6-12(17)7-5-11/h4-7,13-14,18H,8-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate has a molecular weight of 310.82 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 80558975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).