tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate

C16H22Cl2N2O2 — CID 107238824

IUPACtert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H22Cl2N2O2/c1-16(2,3)22-15(21)20-13-7-12(8-13)19-9-10-4-5-11(17)6-14(10)18/h4-6,12-13,19H,7-9H2,1-3H3,(H,20,21)
InChIKeyDQNOWRJEPWXOCG-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate (PubChem CID 107238824) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
PubChem CID107238824
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Nametert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C16H22Cl2N2O2/c1-16(2,3)22-15(21)20-13-7-12(8-13)19-9-10-4-5-11(17)6-14(10)18/h4-6,12-13,19H,7-9H2,1-3H3,(H,20,21)
InChIKeyDQNOWRJEPWXOCG-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[1-[(2,4-dichlorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249857
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate
CID 107241465
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985
tert-butyl N-[4-[(3-chlorophenyl)methylamino]cyclohexyl]carbamate
CID 86277390
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate (CID 107238824) is tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate?
The InChIKey is DQNOWRJEPWXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-16(2,3)22-15(21)20-13-7-12(8-13)19-9-10-4-5-11(17)6-14(10)18/h4-6,12-13,19H,7-9H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate has a molecular weight of 345.27 g/mol, XLogP of 4.14, 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-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107238824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).