tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate

C19H30N2O2 — CID 107243328

IUPACtert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
SMILESCc1ccc(CNCC2(NC(=O)OC(C)(C)C)CCC2)cc1C
InChIInChI=1S/C19H30N2O2/c1-14-7-8-16(11-15(14)2)12-20-13-19(9-6-10-19)21-17(22)23-18(3,4)5/h7-8,11,20H,6,9-10,12-13H2,1-5H3,(H,21,22)
InChIKeyFEIPKGFXZRIQDJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.84
Rot. Bonds5

About tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate (PubChem CID 107243328) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
PubChem CID107243328
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
SMILESCc1ccc(CNCC2(NC(=O)OC(C)(C)C)CCC2)cc1C
InChIInChI=1S/C19H30N2O2/c1-14-7-8-16(11-15(14)2)12-20-13-19(9-6-10-19)21-17(22)23-18(3,4)5/h7-8,11,20H,6,9-10,12-13H2,1-5H3,(H,21,22)
InChIKeyFEIPKGFXZRIQDJ-UHFFFAOYSA-N
XLogP3.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[[(2,6-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243378
5-[[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methylamino]methyl]furan-2-carboxylic acid
CID 107243225
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135
tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243334
tert-butyl N-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104756818
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
tert-butyl N-[1-[[(2-chloro-6-fluorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243208
tert-butyl N-[1-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 104879622
tert-butyl N-[1-[[(1-propylimidazol-2-yl)methylamino]methyl]cyclobutyl]carbamate
CID 107243289
tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
CID 107243335
tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
CID 107243282
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115183513

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate (CID 107243328) is tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate is Cc1ccc(CNCC2(NC(=O)OC(C)(C)C)CCC2)cc1C.
What is the InChIKey of tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate?
The InChIKey is FEIPKGFXZRIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-7-8-16(11-15(14)2)12-20-13-19(9-6-10-19)21-17(22)23-18(3,4)5/h7-8,11,20H,6,9-10,12-13H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).